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.

1 – 15 of 127 results

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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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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

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Thermo Scientific Chemicals Thiamine hydrochloride, 98.5-101.5%

CAS: 67-03-8 Molecular Formula: C₁₂H₁₇ClN₄OS·HCl Molecular Weight (g/mol): 337.26 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)	337.26
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	C₁₂H₁₇ClN₄OS·HCl

3-Pyrimidin-5-ylaniline, ≥97%, Thermo Scientific™

CAS: 69491-59-4 Molecular Formula: C10H9N3 Molecular Weight (g/mol): 171.203 MDL Number: MFCD06802522 InChI Key: DZEIKJMNXHOFHL-UHFFFAOYSA-N PubChem CID: 7162049 IUPAC Name: 3-pyrimidin-5-ylaniline SMILES: C1=CC(=CC(=C1)N)C2=CN=CN=C2

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Specifications

PubChem CID	7162049
CAS	69491-59-4
Molecular Weight (g/mol)	171.203
MDL Number	MFCD06802522
SMILES	C1=CC(=CC(=C1)N)C2=CN=CN=C2
IUPAC Name	3-pyrimidin-5-ylaniline
InChI Key	DZEIKJMNXHOFHL-UHFFFAOYSA-N
Molecular Formula	C10H9N3

Ethyl 4-(trifluoromethyl)pyrimidine-5-carboxylate, Thermo Scientific™

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2-Anilinopyrimidine-5-carboxylic acid, 97%, Thermo Scientific™

CAS: 450368-25-9 Molecular Formula: C11H9N3O2 Molecular Weight (g/mol): 215.21 MDL Number: MFCD09864415 InChI Key: ZPIYMRAJXNMUPE-UHFFFAOYSA-N Synonym: 2-phenylamino pyrimidine-5-carboxylic acid,5-pyrimidinecarboxylicacid, 2-phenylamino,2-anilino-5-pyrimidinecarboxylic acid,2-anilinopyrimidine-5-carboxylic acid PubChem CID: 23509722 IUPAC Name: 2-anilinopyrimidine-5-carboxylic acid SMILES: OC(=O)C1=CN=C(NC2=CC=CC=C2)N=C1

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Specifications

PubChem CID	23509722
CAS	450368-25-9
Molecular Weight (g/mol)	215.21
MDL Number	MFCD09864415
SMILES	OC(=O)C1=CN=C(NC2=CC=CC=C2)N=C1
Synonym	2-phenylamino pyrimidine-5-carboxylic acid,5-pyrimidinecarboxylicacid, 2-phenylamino,2-anilino-5-pyrimidinecarboxylic acid,2-anilinopyrimidine-5-carboxylic acid
IUPAC Name	2-anilinopyrimidine-5-carboxylic acid
InChI Key	ZPIYMRAJXNMUPE-UHFFFAOYSA-N
Molecular Formula	C11H9N3O2

2,4-Bis-(trifluoromethyl)pyrimidine-5-carboxylic acid, Thermo Scientific™

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5-Pyrimidinecarboxylic acid, 97%, Thermo Scientific™

CAS: 4595-61-3 Molecular Formula: C5H4N2O2 Molecular Weight (g/mol): 124.10 MDL Number: MFCD00856162 InChI Key: IIVUJUOJERNGQX-UHFFFAOYSA-N Synonym: 5-pyrimidinecarboxylic acid,5-carboxypyrimidine,pyrimidine-5-carboxilic acid,5-pyrimidine carboxylic acid,pyrimidine-5-carboxylate acid,pyrimidine-5-carboxylicacid,pubchem2056,acmc-209k5a,5-pyrimidyl carboxylic acid,pyrimidin-5-carboxylic acid PubChem CID: 78346 IUPAC Name: pyrimidine-5-carboxylic acid SMILES: OC(=O)C1=CN=CN=C1

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Specifications

PubChem CID	78346
CAS	4595-61-3
Molecular Weight (g/mol)	124.10
MDL Number	MFCD00856162
SMILES	OC(=O)C1=CN=CN=C1
Synonym	5-pyrimidinecarboxylic acid,5-carboxypyrimidine,pyrimidine-5-carboxilic acid,5-pyrimidine carboxylic acid,pyrimidine-5-carboxylate acid,pyrimidine-5-carboxylicacid,pubchem2056,acmc-209k5a,5-pyrimidyl carboxylic acid,pyrimidin-5-carboxylic acid
IUPAC Name	pyrimidine-5-carboxylic acid
InChI Key	IIVUJUOJERNGQX-UHFFFAOYSA-N
Molecular Formula	C5H4N2O2

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Thermo Scientific Chemicals Imatinib mesylate, 98%

CAS: 220127-57-1 Molecular Formula: C30H35N7O4S Molecular Weight (g/mol): 589.72 MDL Number: MFCD04307699 InChI Key: YLMAHDNUQAMNNX-UHFFFAOYSA-N Synonym: imatinib mesylate,gleevec,glivec,imatinib mesilate,imatinib methanesulfonate,imatinib mesylate sti571,imatinib monomesylate,unii-8a1o1m485b,imatinib, methanesulfonate salt PubChem CID: 123596 ChEBI: CHEBI:31690 IUPAC Name: methanesulfonic acid;4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide SMILES: CS(O)(=O)=O.CN1CCN(CC2=CC=C(C=C2)C(=O)NC2=CC=C(C)C(NC3=NC=CC(=N3)C3=CC=CN=C3)=C2)CC1

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Specifications

PubChem CID	123596
CAS	220127-57-1
Molecular Weight (g/mol)	589.72
ChEBI	CHEBI:31690
MDL Number	MFCD04307699
SMILES	CS(O)(=O)=O.CN1CCN(CC2=CC=C(C=C2)C(=O)NC2=CC=C(C)C(NC3=NC=CC(=N3)C3=CC=CN=C3)=C2)CC1
Synonym	imatinib mesylate,gleevec,glivec,imatinib mesilate,imatinib methanesulfonate,imatinib mesylate sti571,imatinib monomesylate,unii-8a1o1m485b,imatinib, methanesulfonate salt
IUPAC Name	methanesulfonic acid;4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
InChI Key	YLMAHDNUQAMNNX-UHFFFAOYSA-N
Molecular Formula	C30H35N7O4S

4-(4-Methoxyphenyl)pyrimidine-2-thiol, ≥95%, Thermo Scientific™

CAS: 175202-77-4 Molecular Formula: C11H10N2OS Molecular Weight (g/mol): 218.274 MDL Number: MFCD00085109 InChI Key: KSXDNCUHISGCTF-UHFFFAOYSA-N Synonym: 4-4-methoxyphenyl pyrimidine-2-thiol,4-4-methoxyphenyl-3h-pyrimidine-2-thione,maybridge1_004759,4-4-methoxyphenyl-2-pyrimidinethiol,4-4-methoxy-phenyl-pyrimidine-2-thiol,6-4-methoxyphenyl-1h-pyrimidine-2-thione,4-4-methoxyphenyl-2-pyrimidinyl hydrosulfide PubChem CID: 2736768 IUPAC Name: 6-(4-methoxyphenyl)-1H-pyrimidine-2-thione SMILES: COC1=CC=C(C=C1)C2=CC=NC(=S)N2

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Specifications

PubChem CID	2736768
CAS	175202-77-4
Molecular Weight (g/mol)	218.274
MDL Number	MFCD00085109
SMILES	COC1=CC=C(C=C1)C2=CC=NC(=S)N2
Synonym	4-4-methoxyphenyl pyrimidine-2-thiol,4-4-methoxyphenyl-3h-pyrimidine-2-thione,maybridge1_004759,4-4-methoxyphenyl-2-pyrimidinethiol,4-4-methoxy-phenyl-pyrimidine-2-thiol,6-4-methoxyphenyl-1h-pyrimidine-2-thione,4-4-methoxyphenyl-2-pyrimidinyl hydrosulfide
IUPAC Name	6-(4-methoxyphenyl)-1H-pyrimidine-2-thione
InChI Key	KSXDNCUHISGCTF-UHFFFAOYSA-N
Molecular Formula	C11H10N2OS

4-Methyl-2-phenyl-5-pyrimidinecarboxylic acid, 97%, Thermo Scientific™

CAS: 103249-79-2 Molecular Formula: C12H10N2O2 Molecular Weight (g/mol): 214.224 InChI Key: ZPXPNKCBUXSJFK-UHFFFAOYSA-N Synonym: 4-methyl-2-phenyl-5-pyrimidinecarboxylic acid,5-pyrimidinecarboxylicacid, 4-methyl-2-phenyl,acmc-1c8q0,2-phenyl-4-methylpyrimidine-5-carboxylic acid,5-pyrimidinecarboxylicacid,4-methyl-2-phenyl,4-methyl-2-phenyl-pyrimidine-5-carboxylic acid,5-pyrimidinecarboxylic acid, 4-methyl-2-phenyl PubChem CID: 239975 IUPAC Name: 4-methyl-2-phenylpyrimidine-5-carboxylic acid SMILES: CC1=NC(=NC=C1C(=O)O)C2=CC=CC=C2

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Specifications

PubChem CID	239975
CAS	103249-79-2
Molecular Weight (g/mol)	214.224
SMILES	CC1=NC(=NC=C1C(=O)O)C2=CC=CC=C2
Synonym	4-methyl-2-phenyl-5-pyrimidinecarboxylic acid,5-pyrimidinecarboxylicacid, 4-methyl-2-phenyl,acmc-1c8q0,2-phenyl-4-methylpyrimidine-5-carboxylic acid,5-pyrimidinecarboxylicacid,4-methyl-2-phenyl,4-methyl-2-phenyl-pyrimidine-5-carboxylic acid,5-pyrimidinecarboxylic acid, 4-methyl-2-phenyl
IUPAC Name	4-methyl-2-phenylpyrimidine-5-carboxylic acid
InChI Key	ZPXPNKCBUXSJFK-UHFFFAOYSA-N
Molecular Formula	C12H10N2O2

6-chloropyrimidin-4(3H)-one, Thermo Scientific™

CAS: 4765-77-9 Molecular Formula: C4H3ClN2O Molecular Weight (g/mol): 130.531 InChI Key: AXFABVAPHSWFMD-UHFFFAOYSA-N Synonym: 6-chloro-4-hydroxypyrimidine,6-chloropyrimidin-4-ol,4-chloro-6-hydroxypyrimidine,6-chloropyrimidin-4 1h-one,6-chloropyrimidin-4 3h-one,6-chloro-4-pyrimidinol,6-chloro-4 1h-pyrimidinone,4 1h-pyrimidinone, 6-chloro,6-chloro-3,4-dihydro-4-oxopyrimidine,zlchem 18 PubChem CID: 358318 IUPAC Name: 6-chloro-1H-pyrimidin-4-one SMILES: C1=C(NC=NC1=O)Cl

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Specifications

PubChem CID	358318
CAS	4765-77-9
Molecular Weight (g/mol)	130.531
SMILES	C1=C(NC=NC1=O)Cl
Synonym	6-chloro-4-hydroxypyrimidine,6-chloropyrimidin-4-ol,4-chloro-6-hydroxypyrimidine,6-chloropyrimidin-4 1h-one,6-chloropyrimidin-4 3h-one,6-chloro-4-pyrimidinol,6-chloro-4 1h-pyrimidinone,4 1h-pyrimidinone, 6-chloro,6-chloro-3,4-dihydro-4-oxopyrimidine,zlchem 18
IUPAC Name	6-chloro-1H-pyrimidin-4-one
InChI Key	AXFABVAPHSWFMD-UHFFFAOYSA-N
Molecular Formula	C4H3ClN2O

Ethyl 2-(trifluoromethyl)-4-methyl-5-pyrimidine carboxylate, Thermo Scientific™

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2-Mercaptopyrimidine, 98%

CAS: 1450-85-7 Molecular Formula: C₄H₄N₂S Molecular Weight (g/mol): 112.15 MDL Number: MFCD00006073 InChI Key: HBCQSNAFLVXVAY-UHFFFAOYSA-N Synonym: 2-mercaptopyrimidine,pyrimidine-2-thiol,2-pyrimidinethiol,2-thiopyrimidine,pyrimidine-2 1h-thione,2 1h-pyrimidinethione,pyrimidinethione,2-pyrimidinethione,2-pyrimidinethiol 9ci,2-1h-pyrimidinthione PubChem CID: 1550489 ChEBI: CHEBI:53576 IUPAC Name: 1H-pyrimidine-2-thione SMILES: C1=CNC(=S)N=C1

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Specifications

PubChem CID	1550489
CAS	1450-85-7
Molecular Weight (g/mol)	112.15
ChEBI	CHEBI:53576
MDL Number	MFCD00006073
SMILES	C1=CNC(=S)N=C1
Synonym	2-mercaptopyrimidine,pyrimidine-2-thiol,2-pyrimidinethiol,2-thiopyrimidine,pyrimidine-2 1h-thione,2 1h-pyrimidinethione,pyrimidinethione,2-pyrimidinethione,2-pyrimidinethiol 9ci,2-1h-pyrimidinthione
IUPAC Name	1H-pyrimidine-2-thione
InChI Key	HBCQSNAFLVXVAY-UHFFFAOYSA-N
Molecular Formula	C₄H₄N₂S

4-(4-chlorophenyl)pyrimidine-2-thiol, 97%, Thermo Scientific™

CAS: 175203-08-4 Molecular Formula: C10H7ClN2S Molecular Weight (g/mol): 222.69 MDL Number: MFCD00174262 InChI Key: TWKIWOOKHPWUIM-UHFFFAOYSA-N Synonym: 4-4-chlorophenyl pyrimidine-2-thiol,4-4-chlorophenyl-2-pyrimidinethiol,4-4-chloro-phenyl-pyrimidine-2-thiol,6-4-chlorophenyl-1h-pyrimidine-2-thione,2 1h-pyrimidinethione, 4-4-chlorophenyl,maybridge1_004888,6-4-chlorophenyl pyrimidine-2 1h-thione,4-4-chlorophenyl-3h-pyrimidine-2-thione PubChem CID: 2735805 IUPAC Name: 6-(4-chlorophenyl)-1H-pyrimidine-2-thione SMILES: ClC1=CC=C(C=C1)C1=CC=NC(=S)N1

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Specifications

PubChem CID	2735805
CAS	175203-08-4
Molecular Weight (g/mol)	222.69
MDL Number	MFCD00174262
SMILES	ClC1=CC=C(C=C1)C1=CC=NC(=S)N1
Synonym	4-4-chlorophenyl pyrimidine-2-thiol,4-4-chlorophenyl-2-pyrimidinethiol,4-4-chloro-phenyl-pyrimidine-2-thiol,6-4-chlorophenyl-1h-pyrimidine-2-thione,2 1h-pyrimidinethione, 4-4-chlorophenyl,maybridge1_004888,6-4-chlorophenyl pyrimidine-2 1h-thione,4-4-chlorophenyl-3h-pyrimidine-2-thione
IUPAC Name	6-(4-chlorophenyl)-1H-pyrimidine-2-thione
InChI Key	TWKIWOOKHPWUIM-UHFFFAOYSA-N
Molecular Formula	C10H7ClN2S

5-(Chloromethyl)uracil, 97%

CAS: 3590-48-5 Molecular Formula: C5H5ClN2O2 Molecular Weight (g/mol): 160.56 MDL Number: MFCD00218445 InChI Key: UCDUBKRXOPMNGH-UHFFFAOYSA-N Synonym: 5-chloromethyl pyrimidine-2,4 1h,3h-dione,5-chloromethyl-1,3-dihydropyrimidine-2,4-dione,2,4 1h,3h-pyrimidinedione, 5-chloromethyl,5-chloromethyluracil,5-chloromethyl uracil,acmc-1ady4,5-chloromethyl-2,4-pyrimidinediol,5-chloromethyl pyrimidine-2,4-diol,5-chloromethyl uracil 250mg PubChem CID: 236125 IUPAC Name: 5-(chloromethyl)-1H-pyrimidine-2,4-dione SMILES: ClCC1=CNC(=O)NC1=O

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Specifications

PubChem CID	236125
CAS	3590-48-5
Molecular Weight (g/mol)	160.56
MDL Number	MFCD00218445
SMILES	ClCC1=CNC(=O)NC1=O
Synonym	5-chloromethyl pyrimidine-2,4 1h,3h-dione,5-chloromethyl-1,3-dihydropyrimidine-2,4-dione,2,4 1h,3h-pyrimidinedione, 5-chloromethyl,5-chloromethyluracil,5-chloromethyl uracil,acmc-1ady4,5-chloromethyl-2,4-pyrimidinediol,5-chloromethyl pyrimidine-2,4-diol,5-chloromethyl uracil 250mg
IUPAC Name	5-(chloromethyl)-1H-pyrimidine-2,4-dione
InChI Key	UCDUBKRXOPMNGH-UHFFFAOYSA-N
Molecular Formula	C5H5ClN2O2

Pyrimidines And Derivatives

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