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Imidazopyrimidines

Organic heterocyclic compounds that contain an imidazole ring fused to a pyrimidine ring. Imidazole is five-membered ring with three carbon atoms and two nitrogen atoms; pyrimidine is a six-membered ring with four carbon atoms and two nitrogen atoms.
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1 – 15 of 123 results
1

O-[4-(Aminomethyl)benzyl]guanine, TRC

CAS: 674799-96-3 Molecular Formula: C13 H14 N6 O Molecular Weight (g/mol): 270.29 Synonym: 9H-Purin-2-amine, 6-[[4-(aminomethyl)phenyl]methoxy]-,1H-Purin-2-amine, 6-[[4-(aminomethyl)phenyl]methoxy]- (9CI),6-[[4-(Aminomethyl)phenyl]methoxy]-9H-purin-2-amine,O-[4-(Aminomethyl)benzyl]guanine IUPAC Name: 6-[[4-(aminomethyl)phenyl]methoxy]-9H-purin-2-amine SMILES: NCc1ccc(COc2nc(N)nc3[nH]cnc23)cc1

CAS 674799-96-3
Molecular Weight (g/mol) 270.29
SMILES NCc1ccc(COc2nc(N)nc3[nH]cnc23)cc1
Synonym 9H-Purin-2-amine, 6-[[4-(aminomethyl)phenyl]methoxy]-,1H-Purin-2-amine, 6-[[4-(aminomethyl)phenyl]methoxy]- (9CI),6-[[4-(Aminomethyl)phenyl]methoxy]-9H-purin-2-amine,O-[4-(Aminomethyl)benzyl]guanine
IUPAC Name 6-[[4-(aminomethyl)phenyl]methoxy]-9H-purin-2-amine
Molecular Formula C13 H14 N6 O
2

N-Boc Linagliptin, TRC

CAS: 668273-75-4 Molecular Formula: C30 H36 N8 O4 Molecular Weight (g/mol): 572.66 Synonym: N-[(3R)-1-[7-(2-Butyn-1-yl)-2,3,6,7-tetrahydro-3-methyl-1-[(4-methyl-2-quinazolinyl)methyl]-2,6-dioxo-1H-purin-8-yl]-3-piperidinyl]carbamic Acid 1,1-Dimethylethyl Ester IUPAC Name: tert-butyl N-[(3R)-1-[7-but-2-ynyl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-2,6-dioxopurin-8-yl]piperidin-3-yl]carbamate SMILES: CC#CCn1c(nc2N(C)C(=O)N(Cc3nc(C)c4ccccc4n3)C(=O)c12)N5CCC[C@H](C5)NC(=O)OC(C)(C)C

CAS 668273-75-4
Molecular Weight (g/mol) 572.66
SMILES CC#CCn1c(nc2N(C)C(=O)N(Cc3nc(C)c4ccccc4n3)C(=O)c12)N5CCC[C@H](C5)NC(=O)OC(C)(C)C
Synonym N-[(3R)-1-[7-(2-Butyn-1-yl)-2,3,6,7-tetrahydro-3-methyl-1-[(4-methyl-2-quinazolinyl)methyl]-2,6-dioxo-1H-purin-8-yl]-3-piperidinyl]carbamic Acid 1,1-Dimethylethyl Ester
IUPAC Name tert-butyl N-[(3R)-1-[7-but-2-ynyl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-2,6-dioxopurin-8-yl]piperidin-3-yl]carbamate
Molecular Formula C30 H36 N8 O4
3

Acyclovir N,O-Diacetate, TRC

CAS: 75128-73-3 Molecular Formula: C12H15N5O5 Molecular Weight (g/mol): 309.28 Synonym: 2-[[(2-(Acetylamino)-6-oxo-1,6-dihydro-9H-purin-9-yl]-methoxy]ethyl Acetate,Aciclovir Imp. G (EP) IUPAC Name: 2-[(2-acetamido-6-oxo-1H-purin-9-yl)methoxy]ethyl acetate SMILES: CC(=O)NC1=Nc2c(ncn2COCCOC(=O)C)C(=O)N1

CAS 75128-73-3
Molecular Weight (g/mol) 309.28
SMILES CC(=O)NC1=Nc2c(ncn2COCCOC(=O)C)C(=O)N1
Synonym 2-[[(2-(Acetylamino)-6-oxo-1,6-dihydro-9H-purin-9-yl]-methoxy]ethyl Acetate,Aciclovir Imp. G (EP)
IUPAC Name 2-[(2-acetamido-6-oxo-1H-purin-9-yl)methoxy]ethyl acetate
Molecular Formula C12H15N5O5
4

N,O-Diacetate Isoacyclovir, TRC

CAS: 91702-60-2 Molecular Formula: C12 H15 N5 O5 Molecular Weight (g/mol): 309.278 IUPAC Name: 2-[(2-acetamido-6-oxo-1H-purin-7-yl)methoxy]ethyl acetate SMILES: CC(=O)NC1=Nc2ncn(COCCOC(=O)C)c2C(=O)N1

CAS 91702-60-2
Molecular Weight (g/mol) 309.278
SMILES CC(=O)NC1=Nc2ncn(COCCOC(=O)C)c2C(=O)N1
IUPAC Name 2-[(2-acetamido-6-oxo-1H-purin-7-yl)methoxy]ethyl acetate
Molecular Formula C12 H15 N5 O5
5

6-Benzylaminopurine, TRC

CAS: 1214-39-7 Molecular Formula: C12 H11 N5 Molecular Weight (g/mol): 225.25 Synonym: 1H-Purin-6-amine, N-(phenylmethyl)- (9CI),Adenine, N-benzyl- (7CI,8CI),Adenine, N6-benzyl- (6CI),N-(Phenylmethyl)-9H-purin-6-amine,6-(Benzylamino)purine,6-(N-Benzylamino)purine,6-BA,6-BAP,6-Benzyladenine,6-Benzylaminoadenine,ABG 3034,BA,BA (growth stimulant),BAP,BAP (growth stimulant),Benzyladenine,Benzylaminopurine,Bongrow,CTP,CyLex,Cytokinin B,MaxCel,N-(Phenylmethyl)-1H-purin-6-amine,N-Benzyladenine,N6-(Benzylamino)purine,N6-Benzyladenine,N6-Benzylaminopurine,NSC 40818,Paturyl,Paturyl 10WSC,Pro-Shear,SD 4901,SQ 4609,TOG-L 101 IUPAC Name: N-benzyl-7H-purin-6-amine SMILES: C(Nc1ncnc2nc[nH]c12)c3ccccc3

CAS 1214-39-7
Molecular Weight (g/mol) 225.25
SMILES C(Nc1ncnc2nc[nH]c12)c3ccccc3
Synonym 1H-Purin-6-amine, N-(phenylmethyl)- (9CI),Adenine, N-benzyl- (7CI,8CI),Adenine, N6-benzyl- (6CI),N-(Phenylmethyl)-9H-purin-6-amine,6-(Benzylamino)purine,6-(N-Benzylamino)purine,6-BA,6-BAP,6-Benzyladenine,6-Benzylaminoadenine,ABG 3034,BA,BA (growth stimulant),BAP,BAP (growth stimulant),Benzyladenine,Benzylaminopurine,Bongrow,CTP,CyLex,Cytokinin B,MaxCel,N-(Phenylmethyl)-1H-purin-6-amine,N-Benzyladenine,N6-(Benzylamino)purine,N6-Benzyladenine,N6-Benzylaminopurine,NSC 40818,Paturyl,Paturyl 10WSC,Pro-Shear,SD 4901,SQ 4609,TOG-L 101
IUPAC Name N-benzyl-7H-purin-6-amine
Molecular Formula C12 H11 N5
6

Uric acid, +99%, Thermo Scientific Chemicals

CAS: 69-93-2 Molecular Formula: C5H4N4O3 Molecular Weight (g/mol): 168.112 MDL Number: MFCD00005712 InChI Key: LEHOTFFKMJEONL-UHFFFAOYSA-N Synonym: uric acid,urate,2,6,8-trioxypurine,lithic acid,2,6,8-trihydroxypurine,2,6,8-trioxopurine,1h-purine-2,6,8-triol,8-hydroxyxanthine,7,9-dihydro-1h-purine-2,6,8 3h-trione,1h-purine-2,6,8 3h-trione, 7,9-dihydro PubChem CID: 1175 ChEBI: CHEBI:17775 IUPAC Name: 7,9-dihydro-3H-purine-2,6,8-trione SMILES: C12=C(NC(=O)N1)NC(=O)NC2=O

PubChem CID 1175
CAS 69-93-2
Molecular Weight (g/mol) 168.112
ChEBI CHEBI:17775
MDL Number MFCD00005712
SMILES C12=C(NC(=O)N1)NC(=O)NC2=O
Synonym uric acid,urate,2,6,8-trioxypurine,lithic acid,2,6,8-trihydroxypurine,2,6,8-trioxopurine,1h-purine-2,6,8-triol,8-hydroxyxanthine,7,9-dihydro-1h-purine-2,6,8 3h-trione,1h-purine-2,6,8 3h-trione, 7,9-dihydro
IUPAC Name 7,9-dihydro-3H-purine-2,6,8-trione
InChI Key LEHOTFFKMJEONL-UHFFFAOYSA-N
Molecular Formula C5H4N4O3
7
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Caffeine, 98.5%, specified according to the req. of USP/BP

CAS: 58-08-2 Molecular Formula: C8H10N4O2 Molecular Weight (g/mol): 194.19 MDL Number: MFCD00005758 InChI Key: RYYVLZVUVIJVGH-UHFFFAOYSA-N Synonym: caffeine,1,3,7-trimethylxanthine,guaranine,thein,cafeina,methyltheobromine,koffein,mateina,theine,alert-pep PubChem CID: 2519 ChEBI: CHEBI:27732 IUPAC Name: 1,3,7-trimethylpurine-2,6-dione SMILES: CN1C=NC2=C1C(=O)N(C)C(=O)N2C

EDGE
PubChem CID 2519
CAS 58-08-2
Molecular Weight (g/mol) 194.19
ChEBI CHEBI:27732
MDL Number MFCD00005758
SMILES CN1C=NC2=C1C(=O)N(C)C(=O)N2C
Synonym caffeine,1,3,7-trimethylxanthine,guaranine,thein,cafeina,methyltheobromine,koffein,mateina,theine,alert-pep
IUPAC Name 1,3,7-trimethylpurine-2,6-dione
InChI Key RYYVLZVUVIJVGH-UHFFFAOYSA-N
Molecular Formula C8H10N4O2
8

2-Amino-6-hydroxy-8-mercaptopurine, 97%

CAS: 28128-40-7 Molecular Formula: C5H5N5OS Molecular Weight (g/mol): 183.19 MDL Number: MFCD00075623 InChI Key: JHEKNTQSGTVPAO-UHFFFAOYSA-N Synonym: 2-amino-6-hydroxy-8-mercaptopurine,8-mercaptoguanine,2-amino-8-mercapto-7h-purin-6-ol,2-amino-8-sulfanyl-1,9-dihydro-6h-purin-6-one,2-amino-1,7,8,9-tetrahydro-2-thioxo-6h-purin-6-one,2-amino-8-mercapto-1,9-dihydro-purin-6-one,2-amino-8-thioxo-3,7-dihydropurin-6-one,2-amino-8-sulfanyl-7h-purin-6-ol,2-amino-8-sulfanyl-9h-purin-6-ol,2-amino-8-thioxo-1,7,8,9-tetrahydro-purin-6-one PubChem CID: 2725005 IUPAC Name: 2-amino-8-sulfanylidene-7,9-dihydro-3H-purin-6-one SMILES: C12=C(NC(=NC1=O)N)NC(=S)N2

PubChem CID 2725005
CAS 28128-40-7
Molecular Weight (g/mol) 183.19
MDL Number MFCD00075623
SMILES C12=C(NC(=NC1=O)N)NC(=S)N2
Synonym 2-amino-6-hydroxy-8-mercaptopurine,8-mercaptoguanine,2-amino-8-mercapto-7h-purin-6-ol,2-amino-8-sulfanyl-1,9-dihydro-6h-purin-6-one,2-amino-1,7,8,9-tetrahydro-2-thioxo-6h-purin-6-one,2-amino-8-mercapto-1,9-dihydro-purin-6-one,2-amino-8-thioxo-3,7-dihydropurin-6-one,2-amino-8-sulfanyl-7h-purin-6-ol,2-amino-8-sulfanyl-9h-purin-6-ol,2-amino-8-thioxo-1,7,8,9-tetrahydro-purin-6-one
IUPAC Name 2-amino-8-sulfanylidene-7,9-dihydro-3H-purin-6-one
InChI Key JHEKNTQSGTVPAO-UHFFFAOYSA-N
Molecular Formula C5H5N5OS
10

Caffeine, 99.7%

CAS: 58-08-2 Molecular Formula: C8H10N4O2 Molecular Weight (g/mol): 194.19 MDL Number: MFCD00005758 InChI Key: RYYVLZVUVIJVGH-UHFFFAOYSA-N Synonym: caffeine,1,3,7-trimethylxanthine,guaranine,thein,cafeina,methyltheobromine,koffein,mateina,theine,alert-pep PubChem CID: 2519 ChEBI: CHEBI:27732 IUPAC Name: 1,3,7-trimethylpurine-2,6-dione SMILES: CN1C=NC2=C1C(=O)N(C)C(=O)N2C

PubChem CID 2519
CAS 58-08-2
Molecular Weight (g/mol) 194.19
ChEBI CHEBI:27732
MDL Number MFCD00005758
SMILES CN1C=NC2=C1C(=O)N(C)C(=O)N2C
Synonym caffeine,1,3,7-trimethylxanthine,guaranine,thein,cafeina,methyltheobromine,koffein,mateina,theine,alert-pep
IUPAC Name 1,3,7-trimethylpurine-2,6-dione
InChI Key RYYVLZVUVIJVGH-UHFFFAOYSA-N
Molecular Formula C8H10N4O2
11
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Caffeine, 99%

CAS: 58-08-2 Molecular Formula: C8H10N4O2 Molecular Weight (g/mol): 194.19 MDL Number: MFCD00005758 InChI Key: RYYVLZVUVIJVGH-UHFFFAOYSA-N Synonym: caffeine,1,3,7-trimethylxanthine,guaranine,thein,cafeina,methyltheobromine,koffein,mateina,theine,alert-pep PubChem CID: 2519 ChEBI: CHEBI:27732 SMILES: CN1C=NC2=C1C(=O)N(C)C(=O)N2C

PubChem CID 2519
CAS 58-08-2
Molecular Weight (g/mol) 194.19
ChEBI CHEBI:27732
MDL Number MFCD00005758
SMILES CN1C=NC2=C1C(=O)N(C)C(=O)N2C
Synonym caffeine,1,3,7-trimethylxanthine,guaranine,thein,cafeina,methyltheobromine,koffein,mateina,theine,alert-pep
InChI Key RYYVLZVUVIJVGH-UHFFFAOYSA-N
Molecular Formula C8H10N4O2
13

2,6-Diaminopurine, 98%

CAS: 1904-98-9 Molecular Formula: C5H6N6 Molecular Weight (g/mol): 150.145 MDL Number: MFCD00213668 InChI Key: MSSXOMSJDRHRMC-UHFFFAOYSA-N Synonym: 2,6-diaminopurine,9h-purine-2,6-diamine,2-aminoadenine,1h-purine-2,6-diamine,2,6-diamino-9h-purine,purine, 2,6-diamino,purine-2,6-diyldiamine,unii-49p95bau4z,ccris 923,purine-2,6-diamine PubChem CID: 30976 ChEBI: CHEBI:40235 IUPAC Name: 7H-purine-2,6-diamine SMILES: C1=NC2=C(N1)C(=NC(=N2)N)N

PubChem CID 30976
CAS 1904-98-9
Molecular Weight (g/mol) 150.145
ChEBI CHEBI:40235
MDL Number MFCD00213668
SMILES C1=NC2=C(N1)C(=NC(=N2)N)N
Synonym 2,6-diaminopurine,9h-purine-2,6-diamine,2-aminoadenine,1h-purine-2,6-diamine,2,6-diamino-9h-purine,purine, 2,6-diamino,purine-2,6-diyldiamine,unii-49p95bau4z,ccris 923,purine-2,6-diamine
IUPAC Name 7H-purine-2,6-diamine
InChI Key MSSXOMSJDRHRMC-UHFFFAOYSA-N
Molecular Formula C5H6N6
14

7-(2-Chloroethyl)theophylline, 97%, Thermo Scientific Chemicals

CAS: 5878-61-5 Molecular Formula: C9H11ClN4O2 Molecular Weight (g/mol): 242.663 MDL Number: MFCD00005760 InChI Key: QCIARNIKNKKHFH-UHFFFAOYSA-N Synonym: 7-2-chloroethyl theophylline,benaphyllin,eupnophile,7-chloroethyl theophylline,theophylline, 7-2-chloroethyl,beta-chloroethyltheophylline,unii-y7202un6b7,7-beta-chlorethyl theophylline,7-chloroethyltheophylline,1h-purine-2,6-dione, 7-2-chloroethyl-3,7-dihydro-1,3-dimethyl PubChem CID: 1882 IUPAC Name: 7-(2-chloroethyl)-1,3-dimethylpurine-2,6-dione SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCl

PubChem CID 1882
CAS 5878-61-5
Molecular Weight (g/mol) 242.663
MDL Number MFCD00005760
SMILES CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCl
Synonym 7-2-chloroethyl theophylline,benaphyllin,eupnophile,7-chloroethyl theophylline,theophylline, 7-2-chloroethyl,beta-chloroethyltheophylline,unii-y7202un6b7,7-beta-chlorethyl theophylline,7-chloroethyltheophylline,1h-purine-2,6-dione, 7-2-chloroethyl-3,7-dihydro-1,3-dimethyl
IUPAC Name 7-(2-chloroethyl)-1,3-dimethylpurine-2,6-dione
InChI Key QCIARNIKNKKHFH-UHFFFAOYSA-N
Molecular Formula C9H11ClN4O2
15

7-(2,3-Dihydroxypropyl)theophylline, 99%

CAS: 479-18-5 Molecular Formula: C10H14N4O4 Molecular Weight (g/mol): 254.24 MDL Number: MFCD00005759 InChI Key: KSCFJBIXMNOVSH-UHFFFAOYSA-N Synonym: dyphylline,diprophylline,diphylline,7-2,3-dihydroxypropyl theophylline,diprophyllin,glyphylline,neothylline,lufyllin,aristophyllin,diprofilline PubChem CID: 3182 ChEBI: CHEBI:4728 IUPAC Name: 7-(2,3-dihydroxypropyl)-1,3-dimethylpurine-2,6-dione SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CO)O

PubChem CID 3182
CAS 479-18-5
Molecular Weight (g/mol) 254.24
ChEBI CHEBI:4728
MDL Number MFCD00005759
SMILES CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CO)O
Synonym dyphylline,diprophylline,diphylline,7-2,3-dihydroxypropyl theophylline,diprophyllin,glyphylline,neothylline,lufyllin,aristophyllin,diprofilline
IUPAC Name 7-(2,3-dihydroxypropyl)-1,3-dimethylpurine-2,6-dione
InChI Key KSCFJBIXMNOVSH-UHFFFAOYSA-N
Molecular Formula C10H14N4O4