2-amino-9-propan-2-yl-1H-purin-6-one;N,N-dimethyl-9-propan-2-ylpurin-2-amine;6-ethoxy-9-propan-2-ylpurin-2-amine;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;bis(2-methyl-9-propan-2-ylpurin-6-amine);N-methyl-9-propan-2-ylpurin-2-amine;6-methyl-9-propan-2-ylpurine;6-methylsulfanyl-9-propan-2-ylpurine;1-propan-2-ylbenzimidazol-4-amine;1-propan-2-ylbenzimidazole;bis(3-propan-2-ylimidazo[4,5-b]pyridin-7-amine);3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;1-propan-2-ylimidazo[4,5-c]pyridin-4-amine;9-propan-2-yl-N-propylpurin-2-amine;9-propan-2-ylpurin-6-amine

C167H228N74O4S — CID 160840812

About 2-amino-9-propan-2-yl-1H-purin-6-one;N,N-dimethyl-9-propan-2-ylpurin-2-amine;6-ethoxy-9-propan-2-ylpurin-2-amine;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;bis(2-methyl-9-propan-2-ylpurin-6-amine);N-methyl-9-propan-2-ylpurin-2-amine;6-methyl-9-propan-2-ylpurine;6-methylsulfanyl-9-propan-2-ylpurine;1-propan-2-ylbenzimidazol-4-amine;1-propan-2-ylbenzimidazole;bis(3-propan-2-ylimidazo[4,5-b]pyridin-7-amine);3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;1-propan-2-ylimidazo[4,5-c]pyridin-4-amine;9-propan-2-yl-N-propylpurin-2-amine;9-propan-2-ylpurin-6-amine

2-amino-9-propan-2-yl-1H-purin-6-one;N,N-dimethyl-9-propan-2-ylpurin-2-amine;6-ethoxy-9-propan-2-ylpurin-2-amine;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;bis(2-methyl-9-propan-2-ylpurin-6-amine);N-methyl-9-propan-2-ylpurin-2-amine;6-methyl-9-propan-2-ylpurine;6-methylsulfanyl-9-propan-2-ylpurine;1-propan-2-ylbenzimidazol-4-amine;1-propan-2-ylbenzimidazole;bis(3-propan-2-ylimidazo[4,5-b]pyridin-7-amine);3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;1-propan-2-ylimidazo[4,5-c]pyridin-4-amine;9-propan-2-yl-N-propylpurin-2-amine;9-propan-2-ylpurin-6-amine (PubChem CID 160840812) has the molecular formula C167H228N74O4S and a molecular weight of 3368.24 g/mol. Its IUPAC name is 2-amino-9-propan-2-yl-1H-purin-6-one;N,N-dimethyl-9-propan-2-ylpurin-2-amine;6-ethoxy-9-propan-2-ylpurin-2-amine;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;bis(2-methyl-9-propan-2-ylpurin-6-amine);N-methyl-9-propan-2-ylpurin-2-amine;6-methyl-9-propan-2-ylpurine;6-methylsulfanyl-9-propan-2-ylpurine;1-propan-2-ylbenzimidazol-4-amine;1-propan-2-ylbenzimidazole;bis(3-propan-2-ylimidazo[4,5-b]pyridin-7-amine);3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;1-propan-2-ylimidazo[4,5-c]pyridin-4-amine;9-propan-2-yl-N-propylpurin-2-amine;9-propan-2-ylpurin-6-amine.

Molecular Properties

• Compound Name: 2-amino-9-propan-2-yl-1H-purin-6-one;N,N-dimethyl-9-propan-2-ylpurin-2-amine;6-ethoxy-9-propan-2-ylpurin-2-amine;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;bis(2-methyl-9-propan-2-ylpurin-6-amine);N-methyl-9-propan-2-ylpurin-2-amine;6-methyl-9-propan-2-ylpurine;6-methylsulfanyl-9-propan-2-ylpurine;1-propan-2-ylbenzimidazol-4-amine;1-propan-2-ylbenzimidazole;bis(3-propan-2-ylimidazo[4,5-b]pyridin-7-amine);3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;1-propan-2-ylimidazo[4,5-c]pyridin-4-amine;9-propan-2-yl-N-propylpurin-2-amine;9-propan-2-ylpurin-6-amine
• PubChem CID: 160840812
• Molecular Formula: C167H228N74O4S
• Molecular Weight: 3368.24 g/mol
• Exact Mass: 3365.96
• IUPAC Name: 2-amino-9-propan-2-yl-1H-purin-6-one;N,N-dimethyl-9-propan-2-ylpurin-2-amine;6-ethoxy-9-propan-2-ylpurin-2-amine;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;bis(2-methyl-9-propan-2-ylpurin-6-amine);N-methyl-9-propan-2-ylpurin-2-amine;6-methyl-9-propan-2-ylpurine;6-methylsulfanyl-9-propan-2-ylpurine;1-propan-2-ylbenzimidazol-4-amine;1-propan-2-ylbenzimidazole;bis(3-propan-2-ylimidazo[4,5-b]pyridin-7-amine);3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;1-propan-2-ylimidazo[4,5-c]pyridin-4-amine;9-propan-2-yl-N-propylpurin-2-amine;9-propan-2-ylpurin-6-amine
• SMILES: CC(C)n1cnc2c(=O)[nH]c(N)nc21.CC(C)n1cnc2c(N)cccc21.CC(C)n1cnc2c(N)ccnc21.CC(C)n1cnc2c(N)ccnc21.CC(C)n1cnc2c(N)nccc21.CC(C)n1cnc2c(N)ncnc21.CC(C)n1cnc2c1N=CCC2=O.CC(C)n1cnc2ccccc21.CC(C)n1cnc2cccnc21.CC(C)n1cnc2cnc(N(C)C)nc21.CCCNc1ncc2ncn(C(C)C)c2n1.CCOc1nc(N)nc2c1ncn2C(C)C.CNc1ncc2ncn(C(C)C)c2n1.COc1ccnc2c1ncn2C(C)C.CSc1ncnc2c1ncn2C(C)C.Cc1nc(N)c2ncn(C(C)C)c2n1.Cc1nc(N)c2ncn(C(C)C)c2n1.Cc1ncnc2c1ncn2C(C)C
• InChI: InChI=1S/C11H17N5.C10H15N5O.C10H15N5.C10H13N3O.C10H13N3.C10H12N2.3C9H13N5.C9H12N4S.4C9H12N4.C9H11N3O.C9H11N3.C8H11N5O.C8H11N5/c1-4-5-12-11-13-6-9-10(15-11)16(7-14-9)8(2)3;1-4-16-9-7-8(13-10(11)14-9)15(5-12-7)6(2)3;1-7(2)15-6-12-8-5-11-10(14(3)4)13-9(8)15;1-7(2)13-6-12-9-8(14-3)4-5-11-10(9)13;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)14-5-12-7-4-11-9(10-3)13-8(7)14;2*1-5(2)14-4-11-7-8(10)12-6(3)13-9(7)14;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;2*1-6(2)13-5-12-8-7(10)3-4-11-9(8)13;1-6(2)12-5-11-8-7(13)3-4-10-9(8)12;1-7(2)12-6-11-8-4-3-5-10-9(8)12;1-4(2)13-3-10-5-6(13)11-8(9)12-7(5)14;1-5(2)13-4-12-6-7(9)10-3-11-8(6)13/h6-8H,4-5H2,1-3H3,(H,12,13,15);5-6H,4H2,1-3H3,(H2,11,13,14);5-7H,1-4H3;4-7H,1-3H3;3-7H,11H2,1-2H3;3-8H,1-2H3;4-6H,1-3H3,(H,10,11,13);2*4-5H,1-3H3,(H2,10,12,13);4-6H,1-3H3;4-6H,1-3H3;3*3-6H,1-2H3,(H2,10,11);4-6H,3H2,1-2H3;3-7H,1-2H3;3-4H,1-2H3,(H3,9,11,12,14);3-5H,1-2H3,(H2,9,10,11)
• InChIKey: SHZQUXJSGMPLSL-UHFFFAOYSA-N
• XLogP: 29.64
• TPSA: 972.35 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 78
• Rotatable Bonds: 27
• Heavy Atoms: 246
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3368.24
LogP ≤ 5	29.64
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	78

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-amino-9-propan-2-yl-1H-purin-6-one;N,N-dimethyl-9-propan-2-ylpurin-2-amine;6-ethoxy-9-propan-2-ylpurin-2-amine;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;bis(2-methyl-9-propan-2-ylpurin-6-amine);N-methyl-9-propan-2-ylpurin-2-amine;6-methyl-9-propan-2-ylpurine;6-methylsulfanyl-9-propan-2-ylpurine;1-propan-2-ylbenzimidazol-4-amine;1-propan-2-ylbenzimidazole;bis(3-propan-2-ylimidazo[4,5-b]pyridin-7-amine);3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;1-propan-2-ylimidazo[4,5-c]pyridin-4-amine;9-propan-2-yl-N-propylpurin-2-amine;9-propan-2-ylpurin-6-amine?

The IUPAC name of 2-amino-9-propan-2-yl-1H-purin-6-one;N,N-dimethyl-9-propan-2-ylpurin-2-amine;6-ethoxy-9-propan-2-ylpurin-2-amine;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;bis(2-methyl-9-propan-2-ylpurin-6-amine);N-methyl-9-propan-2-ylpurin-2-amine;6-methyl-9-propan-2-ylpurine;6-methylsulfanyl-9-propan-2-ylpurine;1-propan-2-ylbenzimidazol-4-amine;1-propan-2-ylbenzimidazole;bis(3-propan-2-ylimidazo[4,5-b]pyridin-7-amine);3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;1-propan-2-ylimidazo[4,5-c]pyridin-4-amine;9-propan-2-yl-N-propylpurin-2-amine;9-propan-2-ylpurin-6-amine (CID 160840812) is 2-amino-9-propan-2-yl-1H-purin-6-one;N,N-dimethyl-9-propan-2-ylpurin-2-amine;6-ethoxy-9-propan-2-ylpurin-2-amine;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;bis(2-methyl-9-propan-2-ylpurin-6-amine);N-methyl-9-propan-2-ylpurin-2-amine;6-methyl-9-propan-2-ylpurine;6-methylsulfanyl-9-propan-2-ylpurine;1-propan-2-ylbenzimidazol-4-amine;1-propan-2-ylbenzimidazole;bis(3-propan-2-ylimidazo[4,5-b]pyridin-7-amine);3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;1-propan-2-ylimidazo[4,5-c]pyridin-4-amine;9-propan-2-yl-N-propylpurin-2-amine;9-propan-2-ylpurin-6-amine.

What is the SMILES notation for 2-amino-9-propan-2-yl-1H-purin-6-one;N,N-dimethyl-9-propan-2-ylpurin-2-amine;6-ethoxy-9-propan-2-ylpurin-2-amine;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;bis(2-methyl-9-propan-2-ylpurin-6-amine);N-methyl-9-propan-2-ylpurin-2-amine;6-methyl-9-propan-2-ylpurine;6-methylsulfanyl-9-propan-2-ylpurine;1-propan-2-ylbenzimidazol-4-amine;1-propan-2-ylbenzimidazole;bis(3-propan-2-ylimidazo[4,5-b]pyridin-7-amine);3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;1-propan-2-ylimidazo[4,5-c]pyridin-4-amine;9-propan-2-yl-N-propylpurin-2-amine;9-propan-2-ylpurin-6-amine?

The canonical SMILES for 2-amino-9-propan-2-yl-1H-purin-6-one;N,N-dimethyl-9-propan-2-ylpurin-2-amine;6-ethoxy-9-propan-2-ylpurin-2-amine;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;bis(2-methyl-9-propan-2-ylpurin-6-amine);N-methyl-9-propan-2-ylpurin-2-amine;6-methyl-9-propan-2-ylpurine;6-methylsulfanyl-9-propan-2-ylpurine;1-propan-2-ylbenzimidazol-4-amine;1-propan-2-ylbenzimidazole;bis(3-propan-2-ylimidazo[4,5-b]pyridin-7-amine);3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;1-propan-2-ylimidazo[4,5-c]pyridin-4-amine;9-propan-2-yl-N-propylpurin-2-amine;9-propan-2-ylpurin-6-amine is CC(C)n1cnc2c(=O)[nH]c(N)nc21.CC(C)n1cnc2c(N)cccc21.CC(C)n1cnc2c(N)ccnc21.CC(C)n1cnc2c(N)ccnc21.CC(C)n1cnc2c(N)nccc21.CC(C)n1cnc2c(N)ncnc21.CC(C)n1cnc2c1N=CCC2=O.CC(C)n1cnc2ccccc21.CC(C)n1cnc2cccnc21.CC(C)n1cnc2cnc(N(C)C)nc21.CCCNc1ncc2ncn(C(C)C)c2n1.CCOc1nc(N)nc2c1ncn2C(C)C.CNc1ncc2ncn(C(C)C)c2n1.COc1ccnc2c1ncn2C(C)C.CSc1ncnc2c1ncn2C(C)C.Cc1nc(N)c2ncn(C(C)C)c2n1.Cc1nc(N)c2ncn(C(C)C)c2n1.Cc1ncnc2c1ncn2C(C)C.

What is the InChIKey of 2-amino-9-propan-2-yl-1H-purin-6-one;N,N-dimethyl-9-propan-2-ylpurin-2-amine;6-ethoxy-9-propan-2-ylpurin-2-amine;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;bis(2-methyl-9-propan-2-ylpurin-6-amine);N-methyl-9-propan-2-ylpurin-2-amine;6-methyl-9-propan-2-ylpurine;6-methylsulfanyl-9-propan-2-ylpurine;1-propan-2-ylbenzimidazol-4-amine;1-propan-2-ylbenzimidazole;bis(3-propan-2-ylimidazo[4,5-b]pyridin-7-amine);3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;1-propan-2-ylimidazo[4,5-c]pyridin-4-amine;9-propan-2-yl-N-propylpurin-2-amine;9-propan-2-ylpurin-6-amine?

The InChIKey is SHZQUXJSGMPLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5.C10H15N5O.C10H15N5.C10H13N3O.C10H13N3.C10H12N2.3C9H13N5.C9H12N4S.4C9H12N4.C9H11N3O.C9H11N3.C8H11N5O.C8H11N5/c1-4-5-12-11-13-6-9-10(15-11)16(7-14-9)8(2)3;1-4-16-9-7-8(13-10(11)14-9)15(5-12-7)6(2)3;1-7(2)15-6-12-8-5-11-10(14(3)4)13-9(8)15;1-7(2)13-6-12-9-8(14-3)4-5-11-10(9)13;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)14-5-12-7-4-11-9(10-3)13-8(7)14;2*1-5(2)14-4-11-7-8(10)12-6(3)13-9(7)14;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;2*1-6(2)13-5-12-8-7(10)3-4-11-9(8)13;1-6(2)12-5-11-8-7(13)3-4-10-9(8)12;1-7(2)12-6-11-8-4-3-5-10-9(8)12;1-4(2)13-3-10-5-6(13)11-8(9)12-7(5)14;1-5(2)13-4-12-6-7(9)10-3-11-8(6)13/h6-8H,4-5H2,1-3H3,(H,12,13,15);5-6H,4H2,1-3H3,(H2,11,13,14);5-7H,1-4H3;4-7H,1-3H3;3-7H,11H2,1-2H3;3-8H,1-2H3;4-6H,1-3H3,(H,10,11,13);2*4-5H,1-3H3,(H2,10,12,13);4-6H,1-3H3;4-6H,1-3H3;3*3-6H,1-2H3,(H2,10,11);4-6H,3H2,1-2H3;3-7H,1-2H3;3-4H,1-2H3,(H3,9,11,12,14);3-5H,1-2H3,(H2,9,10,11).

What are the key properties of 2-amino-9-propan-2-yl-1H-purin-6-one;N,N-dimethyl-9-propan-2-ylpurin-2-amine;6-ethoxy-9-propan-2-ylpurin-2-amine;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;bis(2-methyl-9-propan-2-ylpurin-6-amine);N-methyl-9-propan-2-ylpurin-2-amine;6-methyl-9-propan-2-ylpurine;6-methylsulfanyl-9-propan-2-ylpurine;1-propan-2-ylbenzimidazol-4-amine;1-propan-2-ylbenzimidazole;bis(3-propan-2-ylimidazo[4,5-b]pyridin-7-amine);3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;1-propan-2-ylimidazo[4,5-c]pyridin-4-amine;9-propan-2-yl-N-propylpurin-2-amine;9-propan-2-ylpurin-6-amine?

2-amino-9-propan-2-yl-1H-purin-6-one;N,N-dimethyl-9-propan-2-ylpurin-2-amine;6-ethoxy-9-propan-2-ylpurin-2-amine;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;bis(2-methyl-9-propan-2-ylpurin-6-amine);N-methyl-9-propan-2-ylpurin-2-amine;6-methyl-9-propan-2-ylpurine;6-methylsulfanyl-9-propan-2-ylpurine;1-propan-2-ylbenzimidazol-4-amine;1-propan-2-ylbenzimidazole;bis(3-propan-2-ylimidazo[4,5-b]pyridin-7-amine);3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;1-propan-2-ylimidazo[4,5-c]pyridin-4-amine;9-propan-2-yl-N-propylpurin-2-amine;9-propan-2-ylpurin-6-amine has a molecular weight of 3368.24 g/mol, XLogP of 29.64, 27 rotatable bonds, 12 hydrogen bond donors, and 78 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-9-propan-2-yl-1H-purin-6-one;N,N-dimethyl-9-propan-2-ylpurin-2-amine;6-ethoxy-9-propan-2-ylpurin-2-amine;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;bis(2-methyl-9-propan-2-ylpurin-6-amine);N-methyl-9-propan-2-ylpurin-2-amine;6-methyl-9-propan-2-ylpurine;6-methylsulfanyl-9-propan-2-ylpurine;1-propan-2-ylbenzimidazol-4-amine;1-propan-2-ylbenzimidazole;bis(3-propan-2-ylimidazo[4,5-b]pyridin-7-amine);3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;1-propan-2-ylimidazo[4,5-c]pyridin-4-amine;9-propan-2-yl-N-propylpurin-2-amine;9-propan-2-ylpurin-6-amine is sourced from PubChem (CID 160840812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).