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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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76 – 90 of 320 results
76

Adenine Hydrochloride Hemihydrate 98.0+%, TCI America™
SDP

CAS: 2922-28-3 Molecular Formula: C5H6ClN5 Molecular Weight (g/mol): 171.59 MDL Number: MFCD00038990 InChI Key: UQVDQSWZQXDUJB-UHFFFAOYSA-N Synonym: adenine hydrochloride,7h-purin-6-amine hydrochloride,6-aminopurine hydrochloride,1h-purin-6-amine, monohydrochloride,adenine monohydrochloride,unii-364h11m7od,adenine hcl,1h-purin-6-amine, hydrochloride,9h-purin-6-amine, hydrochloride 1:?,9h-purin-6-amine, hydrochloride 1:1 PubChem CID: 76219 IUPAC Name: 7H-purin-6-amine hydrochloride SMILES: Cl.NC1=C2NC=NC2=NC=N1

PubChem CID 76219
CAS 2922-28-3
Molecular Weight (g/mol) 171.59
MDL Number MFCD00038990
SMILES Cl.NC1=C2NC=NC2=NC=N1
Synonym adenine hydrochloride,7h-purin-6-amine hydrochloride,6-aminopurine hydrochloride,1h-purin-6-amine, monohydrochloride,adenine monohydrochloride,unii-364h11m7od,adenine hcl,1h-purin-6-amine, hydrochloride,9h-purin-6-amine, hydrochloride 1:?,9h-purin-6-amine, hydrochloride 1:1
IUPAC Name 7H-purin-6-amine hydrochloride
InChI Key UQVDQSWZQXDUJB-UHFFFAOYSA-N
Molecular Formula C5H6ClN5
77

Pentoxifylline 98.0+%, TCI America™
SDP

CAS: 6493-05-6 Molecular Formula: C13H18N4O3 Molecular Weight (g/mol): 278.31 MDL Number: MFCD00063379 InChI Key: BYPFEZZEUUWMEJ-UHFFFAOYSA-N Synonym: pentoxifylline,trental,oxpentifylline,pentoxifyllin,torental,pentoxyphylline,pentoxil,dimethyloxohexylxanthine,pentoxiphyllium,vazofirin PubChem CID: 4740 ChEBI: CHEBI:7986 IUPAC Name: 3,7-dimethyl-1-(5-oxohexyl)purine-2,6-dione SMILES: CC(=O)CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C

PubChem CID 4740
CAS 6493-05-6
Molecular Weight (g/mol) 278.31
ChEBI CHEBI:7986
MDL Number MFCD00063379
SMILES CC(=O)CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C
Synonym pentoxifylline,trental,oxpentifylline,pentoxifyllin,torental,pentoxyphylline,pentoxil,dimethyloxohexylxanthine,pentoxiphyllium,vazofirin
IUPAC Name 3,7-dimethyl-1-(5-oxohexyl)purine-2,6-dione
InChI Key BYPFEZZEUUWMEJ-UHFFFAOYSA-N
Molecular Formula C13H18N4O3
78

Theobromine 98.0+%, TCI America™
SDP

CAS: 83-67-0 Molecular Formula: C7H8N4O2 Molecular Weight (g/mol): 180.167 MDL Number: MFCD00022830 InChI Key: YAPQBXQYLJRXSA-UHFFFAOYSA-N Synonym: theobromine,3,7-dimethylxanthine,diurobromine,teobromin,theosalvose,theostene,santheose,thesodate,thesal,theobromin PubChem CID: 5429 ChEBI: CHEBI:28946 IUPAC Name: 3,7-dimethylpurine-2,6-dione SMILES: CN1C=NC2=C1C(=O)NC(=O)N2C

PubChem CID 5429
CAS 83-67-0
Molecular Weight (g/mol) 180.167
ChEBI CHEBI:28946
MDL Number MFCD00022830
SMILES CN1C=NC2=C1C(=O)NC(=O)N2C
Synonym theobromine,3,7-dimethylxanthine,diurobromine,teobromin,theosalvose,theostene,santheose,thesodate,thesal,theobromin
IUPAC Name 3,7-dimethylpurine-2,6-dione
InChI Key YAPQBXQYLJRXSA-UHFFFAOYSA-N
Molecular Formula C7H8N4O2
79

9-(2-Hydroxyethyl)adenine 98.0+%, TCI America™
SDP

CAS: 707-99-3 Molecular Formula: C7H9N5O Molecular Weight (g/mol): 179.183 MDL Number: MFCD04220770 InChI Key: VAQOTZQDXZDBJK-UHFFFAOYSA-N Synonym: 6-Amino-9-(2-hydroxyethyl)purine PubChem CID: 242652 IUPAC Name: 2-(6-aminopurin-9-yl)ethanol SMILES: C1=NC2=C(C(=N1)N)N=CN2CCO

PubChem CID 242652
CAS 707-99-3
Molecular Weight (g/mol) 179.183
MDL Number MFCD04220770
SMILES C1=NC2=C(C(=N1)N)N=CN2CCO
Synonym 6-Amino-9-(2-hydroxyethyl)purine
IUPAC Name 2-(6-aminopurin-9-yl)ethanol
InChI Key VAQOTZQDXZDBJK-UHFFFAOYSA-N
Molecular Formula C7H9N5O
80

3-Methyladenine, TCI America™
SDP

CAS: 5142-23-4 Molecular Formula: C6H7N5 Molecular Weight (g/mol): 149.16 MDL Number: MFCD00010531 InChI Key: FSASIHFSFGAIJM-UHFFFAOYSA-N Synonym: 3-methyladenine,3-methyl-3h-purin-6-amine,6-amino-3-methylpurine,3-ma,3h-purin-6-amine, 3-methyl,3-methyl-3h-adenine,n3-methyladenine,adenine, 3-methyl,3-methyl-3h-purin-6-ylamine,3-methyladenine 3-ma PubChem CID: 1673 ChEBI: CHEBI:38635 IUPAC Name: 3-methyl-3H-purin-6-amine SMILES: CN1C=NC(N)=C2N=CN=C12

PubChem CID 1673
CAS 5142-23-4
Molecular Weight (g/mol) 149.16
ChEBI CHEBI:38635
MDL Number MFCD00010531
SMILES CN1C=NC(N)=C2N=CN=C12
Synonym 3-methyladenine,3-methyl-3h-purin-6-amine,6-amino-3-methylpurine,3-ma,3h-purin-6-amine, 3-methyl,3-methyl-3h-adenine,n3-methyladenine,adenine, 3-methyl,3-methyl-3h-purin-6-ylamine,3-methyladenine 3-ma
IUPAC Name 3-methyl-3H-purin-6-amine
InChI Key FSASIHFSFGAIJM-UHFFFAOYSA-N
Molecular Formula C6H7N5
81

6-Bromoimidazo[1,2-a]pyrimidine 98.0+%, TCI America™
SDP

CAS: 865156-68-9 Molecular Formula: C6H4BrN3 Molecular Weight (g/mol): 198.023 MDL Number: MFCD09261434 InChI Key: BQMWMOQCMFLRQQ-UHFFFAOYSA-N Synonym: 6-bromoimidazo 1,2-a pyrimidine,6-bromo-imidazo 1,2-a pyrimidine,imidazo 1,2-a pyrimidine, 6-bromo,6-bromo-4-hydroimidazo 1,2-a pyrimidine,pubchem20931,acmc-209qa4,6-bromo-imidazo 1,2-a pyr...,6-bromanylimidazo 1,2-a pyrimidine,imidazo 1,2-a pyrimidine,6-bromo PubChem CID: 26967622 IUPAC Name: 6-bromoimidazo[1,2-a]pyrimidine SMILES: C1=CN2C=C(C=NC2=N1)Br

PubChem CID 26967622
CAS 865156-68-9
Molecular Weight (g/mol) 198.023
MDL Number MFCD09261434
SMILES C1=CN2C=C(C=NC2=N1)Br
Synonym 6-bromoimidazo 1,2-a pyrimidine,6-bromo-imidazo 1,2-a pyrimidine,imidazo 1,2-a pyrimidine, 6-bromo,6-bromo-4-hydroimidazo 1,2-a pyrimidine,pubchem20931,acmc-209qa4,6-bromo-imidazo 1,2-a pyr...,6-bromanylimidazo 1,2-a pyrimidine,imidazo 1,2-a pyrimidine,6-bromo
IUPAC Name 6-bromoimidazo[1,2-a]pyrimidine
InChI Key BQMWMOQCMFLRQQ-UHFFFAOYSA-N
Molecular Formula C6H4BrN3
82

8-Bromotheophylline 98.0+%, TCI America™
SDP

CAS: 10381-75-6 Molecular Formula: C7H7BrN4O2 Molecular Weight (g/mol): 259.063 MDL Number: MFCD00022664 InChI Key: SKTFQHRVFFOHTQ-UHFFFAOYSA-N PubChem CID: 11808 IUPAC Name: 8-bromo-1,3-dimethyl-7H-purine-2,6-dione SMILES: CN1C2=C(C(=O)N(C1=O)C)NC(=N2)Br

PubChem CID 11808
CAS 10381-75-6
Molecular Weight (g/mol) 259.063
MDL Number MFCD00022664
SMILES CN1C2=C(C(=O)N(C1=O)C)NC(=N2)Br
IUPAC Name 8-bromo-1,3-dimethyl-7H-purine-2,6-dione
InChI Key SKTFQHRVFFOHTQ-UHFFFAOYSA-N
Molecular Formula C7H7BrN4O2
83

2',3'-O-Isopropylideneadenosine 98.0+%, TCI America™
SDP

CAS: 362-75-4 Molecular Formula: C13H17N5O4 Molecular Weight (g/mol): 307.31 MDL Number: MFCD00005756 InChI Key: LCCLUOXEZAHUNS-AUWRGFAENA-N Synonym: 2',3'-o-isopropylideneadenosine,3ar,4r,6r,6ar-6-6-amino-9h-purin-9-yl-2,2-dimethyltetrahydrofuro 3,4-d 1,3 dioxol-4-yl methanol,2',3'-isopropylideneadenosine,3ar,4r,6r,6ar-6-6-amino-9h-purin-9-yl-2,2-dimethyl-tetrahydro-2h-furo 3,4-d 1,3 dioxol-4-yl methanol,2 ,3-o-isopropylideneadenosine,1r,2r,4r,5r-4-6-aminopurin-9-yl-7,7-dimethyl-3,6,8-trioxabicyclo 3.3.0 oc t-2-yl methan-1-ol,3ar,4r,6r,6ar-4-6-aminopurin-9-yl-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro 3,4-d 1,3 dioxol-6-yl methanol,3ar,4r,6r,6ar-6-6-aminopurin-9-yl-2,2-dimethyl-tetrahydrofuro 3,4-d 1,3 dioxol-4-yl methanol,pubchem14185 PubChem CID: 2723654 IUPAC Name: [(3aR,4R,6R,6aR)-6-(6-amino-9H-purin-9-yl)-2,2-dimethyl-tetrahydro-2H-furo[3,4-d][1,3]dioxol-4-yl]methanol SMILES: CC1(C)O[C@@H]2[C@@H](CO)O[C@H]([C@@H]2O1)N1C=NC2=C(N)N=CN=C12

PubChem CID 2723654
CAS 362-75-4
Molecular Weight (g/mol) 307.31
MDL Number MFCD00005756
SMILES CC1(C)O[C@@H]2[C@@H](CO)O[C@H]([C@@H]2O1)N1C=NC2=C(N)N=CN=C12
Synonym 2',3'-o-isopropylideneadenosine,3ar,4r,6r,6ar-6-6-amino-9h-purin-9-yl-2,2-dimethyltetrahydrofuro 3,4-d 1,3 dioxol-4-yl methanol,2',3'-isopropylideneadenosine,3ar,4r,6r,6ar-6-6-amino-9h-purin-9-yl-2,2-dimethyl-tetrahydro-2h-furo 3,4-d 1,3 dioxol-4-yl methanol,2 ,3-o-isopropylideneadenosine,1r,2r,4r,5r-4-6-aminopurin-9-yl-7,7-dimethyl-3,6,8-trioxabicyclo 3.3.0 oc t-2-yl methan-1-ol,3ar,4r,6r,6ar-4-6-aminopurin-9-yl-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro 3,4-d 1,3 dioxol-6-yl methanol,3ar,4r,6r,6ar-6-6-aminopurin-9-yl-2,2-dimethyl-tetrahydrofuro 3,4-d 1,3 dioxol-4-yl methanol,pubchem14185
IUPAC Name [(3aR,4R,6R,6aR)-6-(6-amino-9H-purin-9-yl)-2,2-dimethyl-tetrahydro-2H-furo[3,4-d][1,3]dioxol-4-yl]methanol
InChI Key LCCLUOXEZAHUNS-AUWRGFAENA-N
Molecular Formula C13H17N5O4
84

Tenofovir Hydrate 98.0+%, TCI America™
SDP

CAS: 147127-20-6 Molecular Formula: C9H14N5O4P Molecular Weight (g/mol): 287.216 MDL Number: MFCD00943794 InChI Key: SGOIRFVFHAKUTI-ZCFIWIBFSA-N Synonym: (R)-[[2-(6-Amino-9H-purin-9-yl)-1-methylethoxy]methyl]phosphonic Acid PubChem CID: 464205 ChEBI: CHEBI:63625 IUPAC Name: [(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethylphosphonic acid SMILES: CC(CN1C=NC2=C1N=CN=C2N)OCP(=O)(O)O

PubChem CID 464205
CAS 147127-20-6
Molecular Weight (g/mol) 287.216
ChEBI CHEBI:63625
MDL Number MFCD00943794
SMILES CC(CN1C=NC2=C1N=CN=C2N)OCP(=O)(O)O
Synonym (R)-[[2-(6-Amino-9H-purin-9-yl)-1-methylethoxy]methyl]phosphonic Acid
IUPAC Name [(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethylphosphonic acid
InChI Key SGOIRFVFHAKUTI-ZCFIWIBFSA-N
Molecular Formula C9H14N5O4P
85

Arprinocid 95.0+%, TCI America™
SDP

CAS: 55779-18-5 Molecular Formula: C12H9ClFN5 Molecular Weight (g/mol): 277.69 MDL Number: MFCD00867210 InChI Key: NAPNOSFRRMHNBJ-UHFFFAOYSA-N Synonym: 9-(2-Chloro-6-fluorobenzyl)-9H-purin-6-amine, Arpocox PubChem CID: 41574 IUPAC Name: 9-[(2-chloro-6-fluorophenyl)methyl]-9H-purin-6-amine SMILES: NC1=C2N=CN(CC3=C(F)C=CC=C3Cl)C2=NC=N1

PubChem CID 41574
CAS 55779-18-5
Molecular Weight (g/mol) 277.69
MDL Number MFCD00867210
SMILES NC1=C2N=CN(CC3=C(F)C=CC=C3Cl)C2=NC=N1
Synonym 9-(2-Chloro-6-fluorobenzyl)-9H-purin-6-amine, Arpocox
IUPAC Name 9-[(2-chloro-6-fluorophenyl)methyl]-9H-purin-6-amine
InChI Key NAPNOSFRRMHNBJ-UHFFFAOYSA-N
Molecular Formula C12H9ClFN5
86

2-Chloroadenine 98.0+%, TCI America™
SDP

CAS: 1839-18-5 Molecular Formula: C5H4ClN5 Molecular Weight (g/mol): 169.57 MDL Number: MFCD00037925 InChI Key: HBJGQJWNMZDFKL-UHFFFAOYSA-N Synonym: 2-chloroadenine,2-chloro-6-aminopurine,2-chloro-9h-purin-6-amine,6-amino-2-chloropurine,adenine, 2-chloro,6-amino-2-chloro-7h-purine,cladribine impurity c,1h-purin-6-amine, 2-chloro,9h-purin-6-amine, 2-chloro,6-amino-2-chloro-purine PubChem CID: 94904 IUPAC Name: 2-chloro-7H-purin-6-amine SMILES: NC1=C2NC=NC2=NC(Cl)=N1

PubChem CID 94904
CAS 1839-18-5
Molecular Weight (g/mol) 169.57
MDL Number MFCD00037925
SMILES NC1=C2NC=NC2=NC(Cl)=N1
Synonym 2-chloroadenine,2-chloro-6-aminopurine,2-chloro-9h-purin-6-amine,6-amino-2-chloropurine,adenine, 2-chloro,6-amino-2-chloro-7h-purine,cladribine impurity c,1h-purin-6-amine, 2-chloro,9h-purin-6-amine, 2-chloro,6-amino-2-chloro-purine
IUPAC Name 2-chloro-7H-purin-6-amine
InChI Key HBJGQJWNMZDFKL-UHFFFAOYSA-N
Molecular Formula C5H4ClN5
87

Doxofylline 98.0+%, TCI America™
SDP

CAS: 69975-86-6 Molecular Formula: C11H14N4O4 Molecular Weight (g/mol): 266.257 MDL Number: MFCD00865218 InChI Key: HWXIGFIVGWUZAO-UHFFFAOYSA-N Synonym: doxofylline,doxophylline,ansimar,dioxyfilline,maxivent,ventax,unii-mpm23gmo7z,doxofylline usan:inn,doxofilina inn-spanish,doxofyllinum inn-latin PubChem CID: 50942 IUPAC Name: 7-(1,3-dioxolan-2-ylmethyl)-1,3-dimethylpurine-2,6-dione SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3OCCO3

PubChem CID 50942
CAS 69975-86-6
Molecular Weight (g/mol) 266.257
MDL Number MFCD00865218
SMILES CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3OCCO3
Synonym doxofylline,doxophylline,ansimar,dioxyfilline,maxivent,ventax,unii-mpm23gmo7z,doxofylline usan:inn,doxofilina inn-spanish,doxofyllinum inn-latin
IUPAC Name 7-(1,3-dioxolan-2-ylmethyl)-1,3-dimethylpurine-2,6-dione
InChI Key HWXIGFIVGWUZAO-UHFFFAOYSA-N
Molecular Formula C11H14N4O4
88

1-Methylxanthine 97.0+%, TCI America™
SDP

CAS: 6136-37-4 Molecular Formula: C6H6N4O2 Molecular Weight (g/mol): 166.14 MDL Number: MFCD00005561 InChI Key: MVOYJPOZRLFTCP-UHFFFAOYSA-N PubChem CID: 80220 ChEBI: CHEBI:68444 IUPAC Name: 1-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione SMILES: CN1C(=O)NC2=C(NC=N2)C1=O

PubChem CID 80220
CAS 6136-37-4
Molecular Weight (g/mol) 166.14
ChEBI CHEBI:68444
MDL Number MFCD00005561
SMILES CN1C(=O)NC2=C(NC=N2)C1=O
IUPAC Name 1-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
InChI Key MVOYJPOZRLFTCP-UHFFFAOYSA-N
Molecular Formula C6H6N4O2
89

7-(2,3-Dihydroxypropyl)theophylline 98.0+%, TCI America™
SDP

90

Xanthine 98.0+%, TCI America™
SDP

CAS: 69-89-6 Molecular Formula: C5H4N4O2 Molecular Weight (g/mol): 152.113 MDL Number: MFCD00078453 InChI Key: LRFVTYWOQMYALW-UHFFFAOYSA-N Synonym: xanthine,2,6-dihydroxypurine,xanthin,2,6-dioxopurine,pseudoxanthine,1h-purine-2,6 3h,7h-dione,isoxanthine,xanthic oxide,1h-purine-2,6-diol,9h-purine-2,6-diol PubChem CID: 1188 ChEBI: CHEBI:17712 IUPAC Name: 3,7-dihydropurine-2,6-dione SMILES: C1=NC2=C(N1)C(=O)NC(=O)N2

PubChem CID 1188
CAS 69-89-6
Molecular Weight (g/mol) 152.113
ChEBI CHEBI:17712
MDL Number MFCD00078453
SMILES C1=NC2=C(N1)C(=O)NC(=O)N2
Synonym xanthine,2,6-dihydroxypurine,xanthin,2,6-dioxopurine,pseudoxanthine,1h-purine-2,6 3h,7h-dione,isoxanthine,xanthic oxide,1h-purine-2,6-diol,9h-purine-2,6-diol
IUPAC Name 3,7-dihydropurine-2,6-dione
InChI Key LRFVTYWOQMYALW-UHFFFAOYSA-N
Molecular Formula C5H4N4O2