Pyrimidines And Derivatives

Aromatic organic compounds that consist of an aromatic six-membered ring containing two non-adjacent nitrogen atoms and four carbon atoms; includes compounds derived from pyrimidines.

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Thiamine hydrochloride, 99% (dry wt.), may cont. up to 5% water

CAS: 67-03-8 Molecular Formula: C12H18Cl2N4OS Molecular Weight (g/mol): 337.263 MDL Number: MFCD00012780 InChI Key: DPJRMOMPQZCRJU-UHFFFAOYSA-M Synonym: thiamine hydrochloride,vitamin b1 hydrochloride,thiamine hcl,aneurine hydrochloride,berin,thiamine chloride hydrochloride,trophite,thiamin chloride,thiamine dichloride,thiaminium chloride PubChem CID: 6202 ChEBI: CHEBI:49105 IUPAC Name: 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;chloride;hydrochloride SMILES: CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.Cl.[Cl-]

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Specifications

PubChem CID	6202
CAS	67-03-8
Molecular Weight (g/mol)	337.263
ChEBI	CHEBI:49105
MDL Number	MFCD00012780
SMILES	CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.Cl.[Cl-]
Synonym	thiamine hydrochloride,vitamin b1 hydrochloride,thiamine hcl,aneurine hydrochloride,berin,thiamine chloride hydrochloride,trophite,thiamin chloride,thiamine dichloride,thiaminium chloride
IUPAC Name	2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;chloride;hydrochloride
InChI Key	DPJRMOMPQZCRJU-UHFFFAOYSA-M
Molecular Formula	C12H18Cl2N4OS

Guanine, 98%

CAS: 73-40-5 Molecular Formula: C5H5N5O Molecular Weight (g/mol): 151.13 MDL Number: MFCD00071533 InChI Key: UYTPUPDQBNUYGX-UHFFFAOYSA-N Synonym: guanine,2-amino-6-hydroxypurine,guanin,2-aminohypoxanthine,mearlmaid,pearl essence,guanine enol,stella polaris,dew pearl,natural pearl essence PubChem CID: 764 ChEBI: CHEBI:16235 SMILES: NC1=NC(=O)C2=C(N1)N=CN2

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Specifications

PubChem CID	764
CAS	73-40-5
Molecular Weight (g/mol)	151.13
ChEBI	CHEBI:16235
MDL Number	MFCD00071533
SMILES	NC1=NC(=O)C2=C(N1)N=CN2
Synonym	guanine,2-amino-6-hydroxypurine,guanin,2-aminohypoxanthine,mearlmaid,pearl essence,guanine enol,stella polaris,dew pearl,natural pearl essence
InChI Key	UYTPUPDQBNUYGX-UHFFFAOYSA-N
Molecular Formula	C5H5N5O

5-Fluorocytosine, 98+%

CAS: 2022-85-7 Molecular Formula: C4H4FN3O Molecular Weight (g/mol): 129.09 MDL Number: MFCD00006035,MFCD00179326,MFCD03547958 InChI Key: XRECTZIEBJDKEO-UHFFFAOYSA-N Synonym: 5-fluorocytosine,flucytosine,ancotil,ancobon,flucytosin,5-fluorocystosine,fluocytosine,5-fc,5-fluorocytosin,fluorcytosine PubChem CID: 3366 ChEBI: CHEBI:5100 SMILES: NC1=C(F)C=NC(=O)N1

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Specifications

PubChem CID	3366
CAS	2022-85-7
Molecular Weight (g/mol)	129.09
ChEBI	CHEBI:5100
MDL Number	MFCD00006035,MFCD00179326,MFCD03547958
SMILES	NC1=C(F)C=NC(=O)N1
Synonym	5-fluorocytosine,flucytosine,ancotil,ancobon,flucytosin,5-fluorocystosine,fluocytosine,5-fc,5-fluorocytosin,fluorcytosine
InChI Key	XRECTZIEBJDKEO-UHFFFAOYSA-N
Molecular Formula	C4H4FN3O

Thermo Scientific Chemicals Cytosine, 98+%

CAS: 71-30-7 Molecular Formula: C4H5N3O Molecular Weight (g/mol): 111.10 MDL Number: MFCD00006034 InChI Key: OPTASPLRGRRNAP-UHFFFAOYSA-N Synonym: cytosine,4-amino-2-hydroxypyrimidine,cytosinimine,2 1h-pyrimidinone, 4-amino,4-amino-2 1h-pyrimidinone,4-aminopyrimidin-2 1h-one,6-aminopyrimidin-2 1h-one,2 1h-pyrimidinone, 6-amino,cyt,4-amino-2-oxo-1,2-dihydropyrimidine PubChem CID: 597 ChEBI: CHEBI:16040 SMILES: NC1=CC=NC(=O)N1

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Specifications

PubChem CID	597
CAS	71-30-7
Molecular Weight (g/mol)	111.10
ChEBI	CHEBI:16040
MDL Number	MFCD00006034
SMILES	NC1=CC=NC(=O)N1
Synonym	cytosine,4-amino-2-hydroxypyrimidine,cytosinimine,2 1h-pyrimidinone, 4-amino,4-amino-2 1h-pyrimidinone,4-aminopyrimidin-2 1h-one,6-aminopyrimidin-2 1h-one,2 1h-pyrimidinone, 6-amino,cyt,4-amino-2-oxo-1,2-dihydropyrimidine
InChI Key	OPTASPLRGRRNAP-UHFFFAOYSA-N
Molecular Formula	C4H5N3O

Thermo Scientific Chemicals Uracil, 99+%

CAS: 66-22-8 Molecular Formula: C4H4N2O2 Molecular Weight (g/mol): 112.09 MDL Number: MFCD00006016 InChI Key: ISAKRJDGNUQOIC-UHFFFAOYSA-N Synonym: uracil,2,4-dihydroxypyrimidine,2,4 1h,3h-pyrimidinedione,2,4-pyrimidinediol,2,4-dioxopyrimidine,pyrimidine-2,4 1h,3h-dione,pirod,2,4-pyrimidinedione,pyrod,hybar x PubChem CID: 1174 ChEBI: CHEBI:17568 IUPAC Name: 1H-pyrimidine-2,4-dione SMILES: O=C1NC=CC(=O)N1

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Specifications

PubChem CID	1174
CAS	66-22-8
Molecular Weight (g/mol)	112.09
ChEBI	CHEBI:17568
MDL Number	MFCD00006016
SMILES	O=C1NC=CC(=O)N1
Synonym	uracil,2,4-dihydroxypyrimidine,2,4 1h,3h-pyrimidinedione,2,4-pyrimidinediol,2,4-dioxopyrimidine,pyrimidine-2,4 1h,3h-dione,pirod,2,4-pyrimidinedione,pyrod,hybar x
IUPAC Name	1H-pyrimidine-2,4-dione
InChI Key	ISAKRJDGNUQOIC-UHFFFAOYSA-N
Molecular Formula	C4H4N2O2

4,6-Dihydroxy-2-mercaptopyrimidine, 98%

CAS: 504-17-6 Molecular Formula: C4H4N2O2S Molecular Weight (g/mol): 144.15 MDL Number: MFCD00006674 InChI Key: RVBUGGBMJDPOST-UHFFFAOYSA-N Synonym: 2-thiobarbituric acid,thiobarbituric acid,bathyran,austranal,4,6-dihydroxy-2-thiopyrimidine,2-thioxodihydropyrimidine-4,6 1h,5h-dione,2-thio-4,6-dioxypyrimidine,usaf ek-660,4,6 1h,5h-pyrimidinedione, dihydro-2-thioxo,2-mercaptobarbituric acid PubChem CID: 2723628 ChEBI: CHEBI:33202 IUPAC Name: 2-sulfanylidene-1,3-diazinane-4,6-dione SMILES: O=C1CC(=O)NC(=S)N1

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Specifications

PubChem CID	2723628
CAS	504-17-6
Molecular Weight (g/mol)	144.15
ChEBI	CHEBI:33202
MDL Number	MFCD00006674
SMILES	O=C1CC(=O)NC(=S)N1
Synonym	2-thiobarbituric acid,thiobarbituric acid,bathyran,austranal,4,6-dihydroxy-2-thiopyrimidine,2-thioxodihydropyrimidine-4,6 1h,5h-dione,2-thio-4,6-dioxypyrimidine,usaf ek-660,4,6 1h,5h-pyrimidinedione, dihydro-2-thioxo,2-mercaptobarbituric acid
IUPAC Name	2-sulfanylidene-1,3-diazinane-4,6-dione
InChI Key	RVBUGGBMJDPOST-UHFFFAOYSA-N
Molecular Formula	C4H4N2O2S

Barbituric acid, 99%

CAS: 67-52-7 Molecular Formula: C4H4N2O3 Molecular Weight (g/mol): 128.09 MDL Number: MFCD00006666 InChI Key: HNYOPLTXPVRDBG-UHFFFAOYSA-N Synonym: barbituric acid,malonylurea,2,4,6 1h,3h,5h-pyrimidinetrione,6-hydroxyuracil,pyrimidinetrione,2,4,6-trihydroxypyrimidine,2,4,6-pyrimidinetrione,pyrimidine-2,4,6 1h,3h,5h-trione,barbiturate,malonylharnstoff PubChem CID: 6211 ChEBI: CHEBI:16294 IUPAC Name: 1,3-diazinane-2,4,6-trione SMILES: O=C1CC(=O)NC(=O)N1

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Specifications

PubChem CID	6211
CAS	67-52-7
Molecular Weight (g/mol)	128.09
ChEBI	CHEBI:16294
MDL Number	MFCD00006666
SMILES	O=C1CC(=O)NC(=O)N1
Synonym	barbituric acid,malonylurea,2,4,6 1h,3h,5h-pyrimidinetrione,6-hydroxyuracil,pyrimidinetrione,2,4,6-trihydroxypyrimidine,2,4,6-pyrimidinetrione,pyrimidine-2,4,6 1h,3h,5h-trione,barbiturate,malonylharnstoff
IUPAC Name	1,3-diazinane-2,4,6-trione
InChI Key	HNYOPLTXPVRDBG-UHFFFAOYSA-N
Molecular Formula	C4H4N2O3

6-Bromopyrazolo[1,5-a]pyrimidine, 97%

CAS: 705263-10-1 Molecular Formula: C6H4BrN3 Molecular Weight (g/mol): 198.02 MDL Number: MFCD09832894 InChI Key: VDHTXLUCUNPVLO-UHFFFAOYSA-N Synonym: 6-bromopyrazolo 1,5-a pyrimidine,6-bromo-pyrazolo 1,5-a pyrimidine,pyrazolo 1,5-a pyrimidine, 6-bromo,pubchem15248,acmc-209of0 PubChem CID: 22236701 IUPAC Name: 6-bromopyrazolo[1,5-a]pyrimidine SMILES: BrC1=CN2N=CC=C2N=C1

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Specifications

PubChem CID	22236701
CAS	705263-10-1
Molecular Weight (g/mol)	198.02
MDL Number	MFCD09832894
SMILES	BrC1=CN2N=CC=C2N=C1
Synonym	6-bromopyrazolo 1,5-a pyrimidine,6-bromo-pyrazolo 1,5-a pyrimidine,pyrazolo 1,5-a pyrimidine, 6-bromo,pubchem15248,acmc-209of0
IUPAC Name	6-bromopyrazolo[1,5-a]pyrimidine
InChI Key	VDHTXLUCUNPVLO-UHFFFAOYSA-N
Molecular Formula	C6H4BrN3

5-Fluorouracil, 99%

CAS: 51-21-8 Molecular Formula: C4H3FN2O2 Molecular Weight (g/mol): 130.08 MDL Number: MFCD00006018 InChI Key: GHASVSINZRGABV-UHFFFAOYSA-N Synonym: 5-fluorouracil,fluorouracil,5-fu,fluoroplex,adrucil,efudex,carac,fluracil,fluoroblastin,kecimeton PubChem CID: 3385 ChEBI: CHEBI:46345 IUPAC Name: 5-fluoro-1H-pyrimidine-2,4-dione SMILES: FC1=CNC(=O)NC1=O

Pricing and Availability
Specifications

PubChem CID	3385
CAS	51-21-8
Molecular Weight (g/mol)	130.08
ChEBI	CHEBI:46345
MDL Number	MFCD00006018
SMILES	FC1=CNC(=O)NC1=O
Synonym	5-fluorouracil,fluorouracil,5-fu,fluoroplex,adrucil,efudex,carac,fluracil,fluoroblastin,kecimeton
IUPAC Name	5-fluoro-1H-pyrimidine-2,4-dione
InChI Key	GHASVSINZRGABV-UHFFFAOYSA-N
Molecular Formula	C4H3FN2O2

Guanosine, 98%

CAS: 118-00-3 Molecular Formula: C10H13N5O5 Molecular Weight (g/mol): 283.24 MDL Number: MFCD00010182 InChI Key: NYHBQMYGNKIUIF-UUOKFMHZSA-N Synonym: guanosine,guanine riboside,vernine,guanozin,guanosin,inosine, 2-amino,usaf cb-11,vernine van,l-guanosine,9-beta-d-ribofuranosylguanine PubChem CID: 6802 ChEBI: CHEBI:16750 SMILES: NC1=NC2=C(N=CN2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(=O)N1

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Specifications

PubChem CID	6802
CAS	118-00-3
Molecular Weight (g/mol)	283.24
ChEBI	CHEBI:16750
MDL Number	MFCD00010182
SMILES	NC1=NC2=C(N=CN2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(=O)N1
Synonym	guanosine,guanine riboside,vernine,guanozin,guanosin,inosine, 2-amino,usaf cb-11,vernine van,l-guanosine,9-beta-d-ribofuranosylguanine
InChI Key	NYHBQMYGNKIUIF-UUOKFMHZSA-N
Molecular Formula	C10H13N5O5

5-(Hydroxymethyl)uracil, 98%

CAS: 4433-40-3 Molecular Formula: C5H6N2O3 Molecular Weight (g/mol): 142.11 MDL Number: MFCD00056024 InChI Key: JDBGXEHEIRGOBU-UHFFFAOYSA-N Synonym: 5-hydroxymethyluracil,5-hydroxymethyl uracil,5-hydroxymethyl pyrimidine-2,4 1h,3h-dione,5-oxymethyluracil,4-methyl-5-oxyuracil,uracil, 5-hydroxymethyl,2,4 1h,3h-pyrimidinedione, 5-hydroxymethyl,thymine, alpha-hydroxy,5-hydroxymethyl-2,4 1h,3h-pyrimidinedione PubChem CID: 78168 ChEBI: CHEBI:16964 IUPAC Name: 5-(hydroxymethyl)-1H-pyrimidine-2,4-dione SMILES: OCC1=CNC(=O)NC1=O

Pricing and Availability
Specifications

PubChem CID	78168
CAS	4433-40-3
Molecular Weight (g/mol)	142.11
ChEBI	CHEBI:16964
MDL Number	MFCD00056024
SMILES	OCC1=CNC(=O)NC1=O
Synonym	5-hydroxymethyluracil,5-hydroxymethyl uracil,5-hydroxymethyl pyrimidine-2,4 1h,3h-dione,5-oxymethyluracil,4-methyl-5-oxyuracil,uracil, 5-hydroxymethyl,2,4 1h,3h-pyrimidinedione, 5-hydroxymethyl,thymine, alpha-hydroxy,5-hydroxymethyl-2,4 1h,3h-pyrimidinedione
IUPAC Name	5-(hydroxymethyl)-1H-pyrimidine-2,4-dione
InChI Key	JDBGXEHEIRGOBU-UHFFFAOYSA-N
Molecular Formula	C5H6N2O3

Ethyl 6-bromopyrazolo[1,5-a]pyrimidine-3-carboxylate, 98%

CAS: 1027511-41-6 Molecular Formula: C9H8BrN3O2 Molecular Weight (g/mol): 270.086 MDL Number: MFCD10574908 InChI Key: PZZTXIWJXOMKEU-UHFFFAOYSA-N Synonym: ethyl 6-bromopyrazolo 1,5-a pyrimidine-3-carboxylate,6-bromo-3-ethoxycarbonyl pyrazolo 1,5-a pyrimidine,6-bromopyrazolo 1,5-a pyrimidine-3-carboxylic acid ethyl ester,pubchem20934,ethyl 6-bromopyrazolo 1,5-a pyrimidine-3-carboxyla,ethyl 6-bromo-pyrazolo 1,5-a pyrimidine-3-carboxylate,ethyl 6-bromopyrazolo 1,5-alpha pyrimidine-3-carboxylate,6-bromo-pyrazolo 1,5-a pyrimidine-3-carboxylic acid ethyl ester PubChem CID: 45073325 IUPAC Name: ethyl 6-bromopyrazolo[1,5-a]pyrimidine-3-carboxylate SMILES: CCOC(=O)C1=C2N=CC(=CN2N=C1)Br

Pricing and Availability
Specifications

PubChem CID	45073325
CAS	1027511-41-6
Molecular Weight (g/mol)	270.086
MDL Number	MFCD10574908
SMILES	CCOC(=O)C1=C2N=CC(=CN2N=C1)Br
Synonym	ethyl 6-bromopyrazolo 1,5-a pyrimidine-3-carboxylate,6-bromo-3-ethoxycarbonyl pyrazolo 1,5-a pyrimidine,6-bromopyrazolo 1,5-a pyrimidine-3-carboxylic acid ethyl ester,pubchem20934,ethyl 6-bromopyrazolo 1,5-a pyrimidine-3-carboxyla,ethyl 6-bromo-pyrazolo 1,5-a pyrimidine-3-carboxylate,ethyl 6-bromopyrazolo 1,5-alpha pyrimidine-3-carboxylate,6-bromo-pyrazolo 1,5-a pyrimidine-3-carboxylic acid ethyl ester
IUPAC Name	ethyl 6-bromopyrazolo[1,5-a]pyrimidine-3-carboxylate
InChI Key	PZZTXIWJXOMKEU-UHFFFAOYSA-N
Molecular Formula	C9H8BrN3O2

4(1H)-Pyrimidinone, 98%, Thermo Scientific Chemicals

CAS: 4562-27-0 Molecular Formula: C4H4N2O Molecular Weight (g/mol): 96.089 MDL Number: MFCD00006664 InChI Key: DNCYBUMDUBHIJZ-UHFFFAOYSA-N Synonym: pyrimidin-4-ol,4-hydroxypyrimidine,4-pyrimidinol,4 3h-pyrimidone,pyrimidin-4 3h-one,4 3h-pyrimidinone,4-pyrimidone,4 1h-pyrimidinone,4-pyrimidinone,deaminoisocytosine PubChem CID: 20695 IUPAC Name: 1H-pyrimidin-6-one SMILES: C1=CN=CNC1=O

Pricing and Availability
Specifications

PubChem CID	20695
CAS	4562-27-0
Molecular Weight (g/mol)	96.089
MDL Number	MFCD00006664
SMILES	C1=CN=CNC1=O
Synonym	pyrimidin-4-ol,4-hydroxypyrimidine,4-pyrimidinol,4 3h-pyrimidone,pyrimidin-4 3h-one,4 3h-pyrimidinone,4-pyrimidone,4 1h-pyrimidinone,4-pyrimidinone,deaminoisocytosine
IUPAC Name	1H-pyrimidin-6-one
InChI Key	DNCYBUMDUBHIJZ-UHFFFAOYSA-N
Molecular Formula	C4H4N2O

6-Chloro-4-hydroxy-2-methylpyrimidine, 97%

CAS: 17551-52-9 Molecular Formula: C5H5ClN2O Molecular Weight (g/mol): 144.558 MDL Number: MFCD00030773 InChI Key: QNANRGHPXMUJQC-UHFFFAOYSA-N Synonym: 6-chloro-2-methyl-4-pyrimidinol,6-chloro-2-methylpyrimidin-4-ol,6-chloro-2-methylpyrimidin-4 1h-one,4 1h-pyrimidinone, 6-chloro-2-methyl,chloromethylpyrimidinol,4 3h-pyrimidinone, 6-chloro-2-methyl,4-pyrimidinol, 6-chloro-2-methyl,6-chloro-2-methyl-4 3h-pyrimidone,2-methyl-4-hydroxy-6-chloropyrimidine,4-chloro-6-hydroxy-2-methylpyrimidine PubChem CID: 295975 IUPAC Name: 6-chloro-2-methyl-1H-pyrimidin-4-one SMILES: CC1=NC(=O)C=C(N1)Cl

Pricing and Availability
Specifications

PubChem CID	295975
CAS	17551-52-9
Molecular Weight (g/mol)	144.558
MDL Number	MFCD00030773
SMILES	CC1=NC(=O)C=C(N1)Cl
Synonym	6-chloro-2-methyl-4-pyrimidinol,6-chloro-2-methylpyrimidin-4-ol,6-chloro-2-methylpyrimidin-4 1h-one,4 1h-pyrimidinone, 6-chloro-2-methyl,chloromethylpyrimidinol,4 3h-pyrimidinone, 6-chloro-2-methyl,4-pyrimidinol, 6-chloro-2-methyl,6-chloro-2-methyl-4 3h-pyrimidone,2-methyl-4-hydroxy-6-chloropyrimidine,4-chloro-6-hydroxy-2-methylpyrimidine
IUPAC Name	6-chloro-2-methyl-1H-pyrimidin-4-one
InChI Key	QNANRGHPXMUJQC-UHFFFAOYSA-N
Molecular Formula	C5H5ClN2O

4-Chloro-2-(4-morpholinyl)quinazoline, 97%

CAS: 39216-67-6 Molecular Formula: C12H12ClN3O Molecular Weight (g/mol): 249.70 MDL Number: MFCD07758764 InChI Key: UWAUCVLFWGAOGM-UHFFFAOYSA-N Synonym: 4-chloro-2-morpholinoquinazoline,4-chloro-2-morpholin-4-yl quinazoline,4-4-chloroquinazolin-2-yl morpholine,4-chloro-2-4-morpholinyl quinazoline PubChem CID: 12286589 IUPAC Name: 4-(4-chloroquinazolin-2-yl)morpholine SMILES: ClC1=C2C=CC=CC2=NC(=N1)N1CCOCC1

Pricing and Availability
Specifications

PubChem CID	12286589
CAS	39216-67-6
Molecular Weight (g/mol)	249.70
MDL Number	MFCD07758764
SMILES	ClC1=C2C=CC=CC2=NC(=N1)N1CCOCC1
Synonym	4-chloro-2-morpholinoquinazoline,4-chloro-2-morpholin-4-yl quinazoline,4-4-chloroquinazolin-2-yl morpholine,4-chloro-2-4-morpholinyl quinazoline
IUPAC Name	4-(4-chloroquinazolin-2-yl)morpholine
InChI Key	UWAUCVLFWGAOGM-UHFFFAOYSA-N
Molecular Formula	C12H12ClN3O

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