N,N-dimethyl-9-propan-2-ylpurin-2-amine;N,N-dimethyl-9-propan-2-ylpurin-6-amine;2-fluoro-9-propan-2-yl-1H-purin-6-one;6-methyl-9-propan-2-ylpurine;6-methylsulfanyl-9-propan-2-ylpurine;1-propan-2-ylbenzimidazol-4-amine;1-propan-2-ylbenzimidazole;7-propan-2-yl-5H-cyclopenta[d]pyrimidin-4-amine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;1-propan-2-ylimidazo[4,5-c]pyridin-4-amine;9-propan-2-yl-N-propylpurin-6-amine;9-propan-2-ylpurine-2,6-diamine;2-[(9-propan-2-ylpurin-2-yl)amino]ethanol;2-[(9-propan-2-ylpurin-6-yl)amino]ethanol;1-propan-2-yl-1,2,4-triazole-3-carboxamide;1-propan-2-yltriazole-4-carboxamide

C145H204FN67O5S — CID 157133729

IUPACN,N-dimethyl-9-propan-2-ylpurin-2-amine;N,N-dimethyl-9-propan-2-ylpurin-6-amine;2-fluoro-9-propan-2-yl-1H-purin-6-one;6-methyl-9-propan-2-ylpurine;6-methylsulfanyl-9-propan-2-ylpurine;1-propan-2-ylbenzimidazol-4-amine;1-propan-2-ylbenzimidazole;7-propan-2-yl-5H-cyclopenta[d]pyrimidin-4-amine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;1-propan-2-ylimidazo[4,5-c]pyridin-4-amine;9-propan-2-yl-N-propylpurin-6-amine;9-propan-2-ylpurine-2,6-diamine;2-[(9-propan-2-ylpurin-2-yl)amino]ethanol;2-[(9-propan-2-ylpurin-6-yl)amino]ethanol;1-propan-2-yl-1,2,4-triazole-3-carboxamide;1-propan-2-yltriazole-4-carboxamide
SMILESCC(C)C1=CCc2c(N)ncnc21.CC(C)n1cc(C(N)=O)nn1.CC(C)n1cnc(C(N)=O)n1.CC(C)n1cnc2c(=O)[nH]c(F)nc21.CC(C)n1cnc2c(N(C)C)ncnc21.CC(C)n1cnc2c(N)cccc21.CC(C)n1cnc2c(N)ccnc21.CC(C)n1cnc2c(N)nc(N)nc21.CC(C)n1cnc2c(N)nccc21.CC(C)n1cnc2c(NCCO)ncnc21.CC(C)n1cnc2ccccc21.CC(C)n1cnc2cnc(N(C)C)nc21.CC(C)n1cnc2cnc(NCCO)nc21.CCCNc1ncnc2c1ncn2C(C)C.CSc1ncnc2c1ncn2C(C)C.Cc1ncnc2c1ncn2C(C)C
InChIInChI=1S/C11H17N5.2C10H15N5O.2C10H15N5.2C10H13N3.C10H12N2.C9H12N4S.3C9H12N4.C8H9FN4O.C8H12N6.2C6H10N4O/c1-4-5-12-10-9-11(14-6-13-10)16(7-15-9)8(2)3;1-7(2)15-6-14-8-9(11-3-4-16)12-5-13-10(8)15;1-7(2)15-6-13-8-5-12-10(11-3-4-16)14-9(8)15;1-7(2)15-6-13-8-9(14(3)4)11-5-12-10(8)15;1-7(2)15-6-12-8-5-11-10(14(3)4)13-9(8)15;1-6(2)7-3-4-8-9(7)12-5-13-10(8)11;1-7(2)13-6-12-10-8(11)4-3-5-9(10)13;1-8(2)12-7-11-9-5-3-4-6-10(9)12;1-6(2)13-5-12-7-8(13)10-4-11-9(7)14-3;1-6(2)13-5-12-8-7(3)10-4-11-9(8)13;1-6(2)13-5-12-8-7(13)3-4-11-9(8)10;1-6(2)13-5-12-8-7(10)3-4-11-9(8)13;1-4(2)13-3-10-5-6(13)11-8(9)12-7(5)14;1-4(2)14-3-11-5-6(9)12-8(10)13-7(5)14;1-4(2)10-3-8-6(9-10)5(7)11;1-4(2)10-3-5(6(7)11)8-9-10/h6-8H,4-5H2,1-3H3,(H,12,13,14);5-7,16H,3-4H2,1-2H3,(H,11,12,13);5-7,16H,3-4H2,1-2H3,(H,11,12,14);2*5-7H,1-4H3;3,5-6H,4H2,1-2H3,(H2,11,12,13);3-7H,11H2,1-2H3;3-8H,1-2H3;4-6H,1-3H3;4-6H,1-3H3;2*3-6H,1-2H3,(H2,10,11);3-4H,1-2H3,(H,11,12,14);3-4H,1-2H3,(H4,9,10,12,13);2*3-4H,1-2H3,(H2,7,11)
InChIKeyAJJJEPZMJMDNSD-UHFFFAOYSA-N
MW3016.76 g/mol
LogP21.63
Rot. Bonds30

About N,N-dimethyl-9-propan-2-ylpurin-2-amine;N,N-dimethyl-9-propan-2-ylpurin-6-amine;2-fluoro-9-propan-2-yl-1H-purin-6-one;6-methyl-9-propan-2-ylpurine;6-methylsulfanyl-9-propan-2-ylpurine;1-propan-2-ylbenzimidazol-4-amine;1-propan-2-ylbenzimidazole;7-propan-2-yl-5H-cyclopenta[d]pyrimidin-4-amine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;1-propan-2-ylimidazo[4,5-c]pyridin-4-amine;9-propan-2-yl-N-propylpurin-6-amine;9-propan-2-ylpurine-2,6-diamine;2-[(9-propan-2-ylpurin-2-yl)amino]ethanol;2-[(9-propan-2-ylpurin-6-yl)amino]ethanol;1-propan-2-yl-1,2,4-triazole-3-carboxamide;1-propan-2-yltriazole-4-carboxamide

N,N-dimethyl-9-propan-2-ylpurin-2-amine;N,N-dimethyl-9-propan-2-ylpurin-6-amine;2-fluoro-9-propan-2-yl-1H-purin-6-one;6-methyl-9-propan-2-ylpurine;6-methylsulfanyl-9-propan-2-ylpurine;1-propan-2-ylbenzimidazol-4-amine;1-propan-2-ylbenzimidazole;7-propan-2-yl-5H-cyclopenta[d]pyrimidin-4-amine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;1-propan-2-ylimidazo[4,5-c]pyridin-4-amine;9-propan-2-yl-N-propylpurin-6-amine;9-propan-2-ylpurine-2,6-diamine;2-[(9-propan-2-ylpurin-2-yl)amino]ethanol;2-[(9-propan-2-ylpurin-6-yl)amino]ethanol;1-propan-2-yl-1,2,4-triazole-3-carboxamide;1-propan-2-yltriazole-4-carboxamide (PubChem CID 157133729) has the molecular formula C145H204FN67O5S and a molecular weight of 3016.76 g/mol. Its IUPAC name is N,N-dimethyl-9-propan-2-ylpurin-2-amine;N,N-dimethyl-9-propan-2-ylpurin-6-amine;2-fluoro-9-propan-2-yl-1H-purin-6-one;6-methyl-9-propan-2-ylpurine;6-methylsulfanyl-9-propan-2-ylpurine;1-propan-2-ylbenzimidazol-4-amine;1-propan-2-ylbenzimidazole;7-propan-2-yl-5H-cyclopenta[d]pyrimidin-4-amine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;1-propan-2-ylimidazo[4,5-c]pyridin-4-amine;9-propan-2-yl-N-propylpurin-6-amine;9-propan-2-ylpurine-2,6-diamine;2-[(9-propan-2-ylpurin-2-yl)amino]ethanol;2-[(9-propan-2-ylpurin-6-yl)amino]ethanol;1-propan-2-yl-1,2,4-triazole-3-carboxamide;1-propan-2-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-9-propan-2-ylpurin-2-amine;N,N-dimethyl-9-propan-2-ylpurin-6-amine;2-fluoro-9-propan-2-yl-1H-purin-6-one;6-methyl-9-propan-2-ylpurine;6-methylsulfanyl-9-propan-2-ylpurine;1-propan-2-ylbenzimidazol-4-amine;1-propan-2-ylbenzimidazole;7-propan-2-yl-5H-cyclopenta[d]pyrimidin-4-amine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;1-propan-2-ylimidazo[4,5-c]pyridin-4-amine;9-propan-2-yl-N-propylpurin-6-amine;9-propan-2-ylpurine-2,6-diamine;2-[(9-propan-2-ylpurin-2-yl)amino]ethanol;2-[(9-propan-2-ylpurin-6-yl)amino]ethanol;1-propan-2-yl-1,2,4-triazole-3-carboxamide;1-propan-2-yltriazole-4-carboxamide
PubChem CID157133729
Molecular FormulaC145H204FN67O5S
Molecular Weight3016.76 g/mol
Exact Mass3014.75
IUPAC NameN,N-dimethyl-9-propan-2-ylpurin-2-amine;N,N-dimethyl-9-propan-2-ylpurin-6-amine;2-fluoro-9-propan-2-yl-1H-purin-6-one;6-methyl-9-propan-2-ylpurine;6-methylsulfanyl-9-propan-2-ylpurine;1-propan-2-ylbenzimidazol-4-amine;1-propan-2-ylbenzimidazole;7-propan-2-yl-5H-cyclopenta[d]pyrimidin-4-amine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;1-propan-2-ylimidazo[4,5-c]pyridin-4-amine;9-propan-2-yl-N-propylpurin-6-amine;9-propan-2-ylpurine-2,6-diamine;2-[(9-propan-2-ylpurin-2-yl)amino]ethanol;2-[(9-propan-2-ylpurin-6-yl)amino]ethanol;1-propan-2-yl-1,2,4-triazole-3-carboxamide;1-propan-2-yltriazole-4-carboxamide
SMILESCC(C)C1=CCc2c(N)ncnc21.CC(C)n1cc(C(N)=O)nn1.CC(C)n1cnc(C(N)=O)n1.CC(C)n1cnc2c(=O)[nH]c(F)nc21.CC(C)n1cnc2c(N(C)C)ncnc21.CC(C)n1cnc2c(N)cccc21.CC(C)n1cnc2c(N)ccnc21.CC(C)n1cnc2c(N)nc(N)nc21.CC(C)n1cnc2c(N)nccc21.CC(C)n1cnc2c(NCCO)ncnc21.CC(C)n1cnc2ccccc21.CC(C)n1cnc2cnc(N(C)C)nc21.CC(C)n1cnc2cnc(NCCO)nc21.CCCNc1ncnc2c1ncn2C(C)C.CSc1ncnc2c1ncn2C(C)C.Cc1ncnc2c1ncn2C(C)C
InChIInChI=1S/C11H17N5.2C10H15N5O.2C10H15N5.2C10H13N3.C10H12N2.C9H12N4S.3C9H12N4.C8H9FN4O.C8H12N6.2C6H10N4O/c1-4-5-12-10-9-11(14-6-13-10)16(7-15-9)8(2)3;1-7(2)15-6-14-8-9(11-3-4-16)12-5-13-10(8)15;1-7(2)15-6-13-8-5-12-10(11-3-4-16)14-9(8)15;1-7(2)15-6-13-8-9(14(3)4)11-5-12-10(8)15;1-7(2)15-6-12-8-5-11-10(14(3)4)13-9(8)15;1-6(2)7-3-4-8-9(7)12-5-13-10(8)11;1-7(2)13-6-12-10-8(11)4-3-5-9(10)13;1-8(2)12-7-11-9-5-3-4-6-10(9)12;1-6(2)13-5-12-7-8(13)10-4-11-9(7)14-3;1-6(2)13-5-12-8-7(3)10-4-11-9(8)13;1-6(2)13-5-12-8-7(13)3-4-11-9(8)10;1-6(2)13-5-12-8-7(10)3-4-11-9(8)13;1-4(2)13-3-10-5-6(13)11-8(9)12-7(5)14;1-4(2)14-3-11-5-6(9)12-8(10)13-7(5)14;1-4(2)10-3-8-6(9-10)5(7)11;1-4(2)10-3-5(6(7)11)8-9-10/h6-8H,4-5H2,1-3H3,(H,12,13,14);5-7,16H,3-4H2,1-2H3,(H,11,12,13);5-7,16H,3-4H2,1-2H3,(H,11,12,14);2*5-7H,1-4H3;3,5-6H,4H2,1-2H3,(H2,11,12,13);3-7H,11H2,1-2H3;3-8H,1-2H3;4-6H,1-3H3;4-6H,1-3H3;2*3-6H,1-2H3,(H2,10,11);3-4H,1-2H3,(H,11,12,14);3-4H,1-2H3,(H4,9,10,12,13);2*3-4H,1-2H3,(H2,7,11)
InChIKeyAJJJEPZMJMDNSD-UHFFFAOYSA-N
XLogP21.63
TPSA921.96 Ų
H-Bond Donors14
H-Bond Acceptors70
Rotatable Bonds30
Heavy Atoms219
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003016.76
LogP ≤ 521.63
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1070

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N,N-dimethyl-9-propan-2-ylpurin-2-amine;N,N-dimethyl-9-propan-2-ylpurin-6-amine;2-fluoro-9-propan-2-yl-1H-purin-6-one;6-methyl-9-propan-2-ylpurine;6-methylsulfanyl-9-propan-2-ylpurine;1-propan-2-ylbenzimidazol-4-amine;1-propan-2-ylbenzimidazole;7-propan-2-yl-5H-cyclopenta[d]pyrimidin-4-amine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;1-propan-2-ylimidazo[4,5-c]pyridin-4-amine;9-propan-2-yl-N-propylpurin-6-amine;9-propan-2-ylpurine-2,6-diamine;2-[(9-propan-2-ylpurin-2-yl)amino]ethanol;2-[(9-propan-2-ylpurin-6-yl)amino]ethanol;1-propan-2-yl-1,2,4-triazole-3-carboxamide;1-propan-2-yltriazole-4-carboxamide with MolForge

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Related Compounds

N-[3-[6-[5-(4-fluorophenyl)-3-[1-(2-hydroxyethyl)piperidin-4-yl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-methyl-4-pyridinyl]-1,3-thiazole-5-carboxamide
CID 140768634
6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-1-[4-methyl-2-[[5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-1,3-thiazol-5-yl]-N-(6-morpholin-4-yl-2-pyridinyl)imidazo[1,2-b]pyridazin-1-ium-3-carboxamide
CID 145564784
2-(3-aminoindazol-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-indazol-1-yl-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-indazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetic acid;N-(2-piperazin-1-ylphenyl)-2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 158591199
5-cyclopropyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazine-2-carboxamide;5-(dimethylamino)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide;N-[3-(hydroxymethyl)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1-phenyl-1,2,4-triazole-3-carboxamide;N-[3-(hydroxymethyl)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1-phenyl-1,2,4-triazole-3-carboxamide
CID 157259956
N,N-dimethyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;N,N-dimethyl-9-propan-2-ylpurin-2-amine;7-methyl-3-propan-2-ylimidazo[4,5-b]pyridine;bis(1-propan-2-ylbenzimidazol-4-amine);1-propan-2-ylbenzimidazole;7-propan-2-yl-5H-cyclopenta[b]pyridin-4-amine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;2-[(9-propan-2-ylpurin-2-yl)amino]ethanol;1-(1-propan-2-ylpyrazol-4-yl)ethanone;1-propan-2-yl-1,2,4-triazole-3-carboxamide;1-(1-propan-2-yltriazol-4-yl)ethanone
CID 157285805
2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;ethyl 7-[4-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate;(2R)-2-[[2-[3-(4-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol
CID 157317218
5-(1-hydroxyethyl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide;N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide;N-[(3S)-1-(6-methylimidazo[1,2-a]pyrazin-8-yl)pyrrolidin-3-yl]-1-phenylimidazole-4-carboxamide;N-[(3S)-1-(6-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1-phenylimidazole-4-carboxamide
CID 157419352
6-[5-(1-Methylpyrazol-3-yl)imidazol-1-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[3-(1-methylpyrazol-3-yl)-2-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;1-[6-[2-(6-methyl-2-pyridinyl)indol-1-yl]imidazo[1,2-a]pyridin-3-yl]ethanone;6-[2-(4-methyl-1,3-thiazol-2-yl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[3-(4-methyl-1,3-thiazol-2-yl)-2-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 157722407
N,N-dimethyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;N,N-dimethyl-9-propan-2-ylpurin-2-amine;7-methyl-3-propan-2-ylimidazo[4,5-b]pyridine;2-methyl-9-propan-2-ylpurin-6-amine;2-methyl-9-propan-2-yl-1H-purin-6-one;bis(1-propan-2-ylbenzimidazol-4-amine);1-propan-2-ylbenzimidazole;7-propan-2-yl-5H-cyclopenta[b]pyridin-4-amine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;2-[(3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]ethanol;3-propan-2-yl-N-propylimidazo[4,5-b]pyridin-7-amine;9-propan-2-yl-N-propylpurin-2-amine;1-(1-propan-2-ylpyrazol-4-yl)ethanone;1-(1-propan-2-yl-1,2,4-triazol-3-yl)ethanone;1-(1-propan-2-yltriazol-4-yl)ethanone
CID 157729166
N,N-dimethyl-9-propan-2-ylpurin-2-amine;N,N-dimethyl-9-propan-2-ylpurin-6-amine;6-methyl-9-propan-2-ylpurine;1-propan-2-ylbenzimidazol-4-amine;1-propan-2-ylbenzimidazole;7-propan-2-yl-5H-cyclopenta[d]pyrimidin-4-amine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;1-propan-2-ylimidazo[4,5-c]pyridin-4-amine;2-[(9-propan-2-ylpurin-2-yl)amino]ethanol;1-propan-2-ylpyrazole-4-carboxamide;1-propan-2-yl-1,2,4-triazole-3-carboxamide;1-propan-2-yltriazole-4-carboxamide
CID 157820453
2-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;N-[(3S)-1-(3-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-1-phenyl-1,2,4-triazole-3-carboxamide;1-phenyl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]imidazole-4-carboxamide;2-pyrrolidin-1-yl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
CID 157879145
N,N-dimethyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;6-ethoxy-2-methyl-9-propan-2-ylpurine;2-fluoro-9-propan-2-yl-1H-purin-6-one;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;7-methyl-3-propan-2-ylimidazo[4,5-b]pyridine;2-methyl-9-propan-2-ylpurin-6-amine;7-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridine;bis(1-propan-2-ylbenzimidazol-4-amine);1-propan-2-ylbenzimidazole;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;2-[(3-propan-2-ylimidazo[4,5-b]pyridin-7-yl)amino]ethanol;9-propan-2-yl-N-propylpurin-2-amine;9-propan-2-yl-N-propylpurin-6-amine;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyridin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
CID 158049044

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-9-propan-2-ylpurin-2-amine;N,N-dimethyl-9-propan-2-ylpurin-6-amine;2-fluoro-9-propan-2-yl-1H-purin-6-one;6-methyl-9-propan-2-ylpurine;6-methylsulfanyl-9-propan-2-ylpurine;1-propan-2-ylbenzimidazol-4-amine;1-propan-2-ylbenzimidazole;7-propan-2-yl-5H-cyclopenta[d]pyrimidin-4-amine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;1-propan-2-ylimidazo[4,5-c]pyridin-4-amine;9-propan-2-yl-N-propylpurin-6-amine;9-propan-2-ylpurine-2,6-diamine;2-[(9-propan-2-ylpurin-2-yl)amino]ethanol;2-[(9-propan-2-ylpurin-6-yl)amino]ethanol;1-propan-2-yl-1,2,4-triazole-3-carboxamide;1-propan-2-yltriazole-4-carboxamide?
The IUPAC name of N,N-dimethyl-9-propan-2-ylpurin-2-amine;N,N-dimethyl-9-propan-2-ylpurin-6-amine;2-fluoro-9-propan-2-yl-1H-purin-6-one;6-methyl-9-propan-2-ylpurine;6-methylsulfanyl-9-propan-2-ylpurine;1-propan-2-ylbenzimidazol-4-amine;1-propan-2-ylbenzimidazole;7-propan-2-yl-5H-cyclopenta[d]pyrimidin-4-amine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;1-propan-2-ylimidazo[4,5-c]pyridin-4-amine;9-propan-2-yl-N-propylpurin-6-amine;9-propan-2-ylpurine-2,6-diamine;2-[(9-propan-2-ylpurin-2-yl)amino]ethanol;2-[(9-propan-2-ylpurin-6-yl)amino]ethanol;1-propan-2-yl-1,2,4-triazole-3-carboxamide;1-propan-2-yltriazole-4-carboxamide (CID 157133729) is N,N-dimethyl-9-propan-2-ylpurin-2-amine;N,N-dimethyl-9-propan-2-ylpurin-6-amine;2-fluoro-9-propan-2-yl-1H-purin-6-one;6-methyl-9-propan-2-ylpurine;6-methylsulfanyl-9-propan-2-ylpurine;1-propan-2-ylbenzimidazol-4-amine;1-propan-2-ylbenzimidazole;7-propan-2-yl-5H-cyclopenta[d]pyrimidin-4-amine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;1-propan-2-ylimidazo[4,5-c]pyridin-4-amine;9-propan-2-yl-N-propylpurin-6-amine;9-propan-2-ylpurine-2,6-diamine;2-[(9-propan-2-ylpurin-2-yl)amino]ethanol;2-[(9-propan-2-ylpurin-6-yl)amino]ethanol;1-propan-2-yl-1,2,4-triazole-3-carboxamide;1-propan-2-yltriazole-4-carboxamide.
What is the SMILES notation for N,N-dimethyl-9-propan-2-ylpurin-2-amine;N,N-dimethyl-9-propan-2-ylpurin-6-amine;2-fluoro-9-propan-2-yl-1H-purin-6-one;6-methyl-9-propan-2-ylpurine;6-methylsulfanyl-9-propan-2-ylpurine;1-propan-2-ylbenzimidazol-4-amine;1-propan-2-ylbenzimidazole;7-propan-2-yl-5H-cyclopenta[d]pyrimidin-4-amine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;1-propan-2-ylimidazo[4,5-c]pyridin-4-amine;9-propan-2-yl-N-propylpurin-6-amine;9-propan-2-ylpurine-2,6-diamine;2-[(9-propan-2-ylpurin-2-yl)amino]ethanol;2-[(9-propan-2-ylpurin-6-yl)amino]ethanol;1-propan-2-yl-1,2,4-triazole-3-carboxamide;1-propan-2-yltriazole-4-carboxamide?
The canonical SMILES for N,N-dimethyl-9-propan-2-ylpurin-2-amine;N,N-dimethyl-9-propan-2-ylpurin-6-amine;2-fluoro-9-propan-2-yl-1H-purin-6-one;6-methyl-9-propan-2-ylpurine;6-methylsulfanyl-9-propan-2-ylpurine;1-propan-2-ylbenzimidazol-4-amine;1-propan-2-ylbenzimidazole;7-propan-2-yl-5H-cyclopenta[d]pyrimidin-4-amine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;1-propan-2-ylimidazo[4,5-c]pyridin-4-amine;9-propan-2-yl-N-propylpurin-6-amine;9-propan-2-ylpurine-2,6-diamine;2-[(9-propan-2-ylpurin-2-yl)amino]ethanol;2-[(9-propan-2-ylpurin-6-yl)amino]ethanol;1-propan-2-yl-1,2,4-triazole-3-carboxamide;1-propan-2-yltriazole-4-carboxamide is CC(C)C1=CCc2c(N)ncnc21.CC(C)n1cc(C(N)=O)nn1.CC(C)n1cnc(C(N)=O)n1.CC(C)n1cnc2c(=O)[nH]c(F)nc21.CC(C)n1cnc2c(N(C)C)ncnc21.CC(C)n1cnc2c(N)cccc21.CC(C)n1cnc2c(N)ccnc21.CC(C)n1cnc2c(N)nc(N)nc21.CC(C)n1cnc2c(N)nccc21.CC(C)n1cnc2c(NCCO)ncnc21.CC(C)n1cnc2ccccc21.CC(C)n1cnc2cnc(N(C)C)nc21.CC(C)n1cnc2cnc(NCCO)nc21.CCCNc1ncnc2c1ncn2C(C)C.CSc1ncnc2c1ncn2C(C)C.Cc1ncnc2c1ncn2C(C)C.
What is the InChIKey of N,N-dimethyl-9-propan-2-ylpurin-2-amine;N,N-dimethyl-9-propan-2-ylpurin-6-amine;2-fluoro-9-propan-2-yl-1H-purin-6-one;6-methyl-9-propan-2-ylpurine;6-methylsulfanyl-9-propan-2-ylpurine;1-propan-2-ylbenzimidazol-4-amine;1-propan-2-ylbenzimidazole;7-propan-2-yl-5H-cyclopenta[d]pyrimidin-4-amine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;1-propan-2-ylimidazo[4,5-c]pyridin-4-amine;9-propan-2-yl-N-propylpurin-6-amine;9-propan-2-ylpurine-2,6-diamine;2-[(9-propan-2-ylpurin-2-yl)amino]ethanol;2-[(9-propan-2-ylpurin-6-yl)amino]ethanol;1-propan-2-yl-1,2,4-triazole-3-carboxamide;1-propan-2-yltriazole-4-carboxamide?
The InChIKey is AJJJEPZMJMDNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5.2C10H15N5O.2C10H15N5.2C10H13N3.C10H12N2.C9H12N4S.3C9H12N4.C8H9FN4O.C8H12N6.2C6H10N4O/c1-4-5-12-10-9-11(14-6-13-10)16(7-15-9)8(2)3;1-7(2)15-6-14-8-9(11-3-4-16)12-5-13-10(8)15;1-7(2)15-6-13-8-5-12-10(11-3-4-16)14-9(8)15;1-7(2)15-6-13-8-9(14(3)4)11-5-12-10(8)15;1-7(2)15-6-12-8-5-11-10(14(3)4)13-9(8)15;1-6(2)7-3-4-8-9(7)12-5-13-10(8)11;1-7(2)13-6-12-10-8(11)4-3-5-9(10)13;1-8(2)12-7-11-9-5-3-4-6-10(9)12;1-6(2)13-5-12-7-8(13)10-4-11-9(7)14-3;1-6(2)13-5-12-8-7(3)10-4-11-9(8)13;1-6(2)13-5-12-8-7(13)3-4-11-9(8)10;1-6(2)13-5-12-8-7(10)3-4-11-9(8)13;1-4(2)13-3-10-5-6(13)11-8(9)12-7(5)14;1-4(2)14-3-11-5-6(9)12-8(10)13-7(5)14;1-4(2)10-3-8-6(9-10)5(7)11;1-4(2)10-3-5(6(7)11)8-9-10/h6-8H,4-5H2,1-3H3,(H,12,13,14);5-7,16H,3-4H2,1-2H3,(H,11,12,13);5-7,16H,3-4H2,1-2H3,(H,11,12,14);2*5-7H,1-4H3;3,5-6H,4H2,1-2H3,(H2,11,12,13);3-7H,11H2,1-2H3;3-8H,1-2H3;4-6H,1-3H3;4-6H,1-3H3;2*3-6H,1-2H3,(H2,10,11);3-4H,1-2H3,(H,11,12,14);3-4H,1-2H3,(H4,9,10,12,13);2*3-4H,1-2H3,(H2,7,11).
What are the key properties of N,N-dimethyl-9-propan-2-ylpurin-2-amine;N,N-dimethyl-9-propan-2-ylpurin-6-amine;2-fluoro-9-propan-2-yl-1H-purin-6-one;6-methyl-9-propan-2-ylpurine;6-methylsulfanyl-9-propan-2-ylpurine;1-propan-2-ylbenzimidazol-4-amine;1-propan-2-ylbenzimidazole;7-propan-2-yl-5H-cyclopenta[d]pyrimidin-4-amine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;1-propan-2-ylimidazo[4,5-c]pyridin-4-amine;9-propan-2-yl-N-propylpurin-6-amine;9-propan-2-ylpurine-2,6-diamine;2-[(9-propan-2-ylpurin-2-yl)amino]ethanol;2-[(9-propan-2-ylpurin-6-yl)amino]ethanol;1-propan-2-yl-1,2,4-triazole-3-carboxamide;1-propan-2-yltriazole-4-carboxamide?
N,N-dimethyl-9-propan-2-ylpurin-2-amine;N,N-dimethyl-9-propan-2-ylpurin-6-amine;2-fluoro-9-propan-2-yl-1H-purin-6-one;6-methyl-9-propan-2-ylpurine;6-methylsulfanyl-9-propan-2-ylpurine;1-propan-2-ylbenzimidazol-4-amine;1-propan-2-ylbenzimidazole;7-propan-2-yl-5H-cyclopenta[d]pyrimidin-4-amine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;1-propan-2-ylimidazo[4,5-c]pyridin-4-amine;9-propan-2-yl-N-propylpurin-6-amine;9-propan-2-ylpurine-2,6-diamine;2-[(9-propan-2-ylpurin-2-yl)amino]ethanol;2-[(9-propan-2-ylpurin-6-yl)amino]ethanol;1-propan-2-yl-1,2,4-triazole-3-carboxamide;1-propan-2-yltriazole-4-carboxamide has a molecular weight of 3016.76 g/mol, XLogP of 21.63, 30 rotatable bonds, 14 hydrogen bond donors, and 70 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-9-propan-2-ylpurin-2-amine;N,N-dimethyl-9-propan-2-ylpurin-6-amine;2-fluoro-9-propan-2-yl-1H-purin-6-one;6-methyl-9-propan-2-ylpurine;6-methylsulfanyl-9-propan-2-ylpurine;1-propan-2-ylbenzimidazol-4-amine;1-propan-2-ylbenzimidazole;7-propan-2-yl-5H-cyclopenta[d]pyrimidin-4-amine;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;1-propan-2-ylimidazo[4,5-c]pyridin-4-amine;9-propan-2-yl-N-propylpurin-6-amine;9-propan-2-ylpurine-2,6-diamine;2-[(9-propan-2-ylpurin-2-yl)amino]ethanol;2-[(9-propan-2-ylpurin-6-yl)amino]ethanol;1-propan-2-yl-1,2,4-triazole-3-carboxamide;1-propan-2-yltriazole-4-carboxamide is sourced from PubChem (CID 157133729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).