6-ethoxy-2-methyl-9-propan-2-ylpurine;2-ethyl-9-propan-2-ylpurine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;2-methyl-9-propan-2-ylpurin-6-amine;bis(2-methyl-9-propan-2-yl-1H-purin-6-one);7-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridine;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;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine

C116H159FN48O7S — CID 157410545

About 6-ethoxy-2-methyl-9-propan-2-ylpurine;2-ethyl-9-propan-2-ylpurine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;2-methyl-9-propan-2-ylpurin-6-amine;bis(2-methyl-9-propan-2-yl-1H-purin-6-one);7-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridine;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;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine

6-ethoxy-2-methyl-9-propan-2-ylpurine;2-ethyl-9-propan-2-ylpurine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;2-methyl-9-propan-2-ylpurin-6-amine;bis(2-methyl-9-propan-2-yl-1H-purin-6-one);7-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridine;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;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine (PubChem CID 157410545) has the molecular formula C116H159FN48O7S and a molecular weight of 2388.94 g/mol. Its IUPAC name is 6-ethoxy-2-methyl-9-propan-2-ylpurine;2-ethyl-9-propan-2-ylpurine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;2-methyl-9-propan-2-ylpurin-6-amine;bis(2-methyl-9-propan-2-yl-1H-purin-6-one);7-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridine;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;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine.

Molecular Properties

• Compound Name: 6-ethoxy-2-methyl-9-propan-2-ylpurine;2-ethyl-9-propan-2-ylpurine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;2-methyl-9-propan-2-ylpurin-6-amine;bis(2-methyl-9-propan-2-yl-1H-purin-6-one);7-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridine;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;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
• PubChem CID: 157410545
• Molecular Formula: C116H159FN48O7S
• Molecular Weight: 2388.94 g/mol
• Exact Mass: 2387.33
• IUPAC Name: 6-ethoxy-2-methyl-9-propan-2-ylpurine;2-ethyl-9-propan-2-ylpurine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;2-methyl-9-propan-2-ylpurin-6-amine;bis(2-methyl-9-propan-2-yl-1H-purin-6-one);7-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridine;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;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
• SMILES: CC(C)c1nnc2c(=O)[nH]ccn12.CC(C)c1nnc2c(N)ccnn12.CC(C)n1cnc2c(NCCO)ccnc21.CCCNc1ccnc2c1ncn2C(C)C.CCOc1nc(C)nc2c1ncn2C(C)C.CCc1ncc2ncn(C(C)C)c2n1.COc1ccnc2c1ncn2C(C)C.CSc1ccnc2c1ncn2C(C)C.Cc1nc(N)c2ncn(C(C)C)c2n1.Cc1nc2c(nc(F)n2C(C)C)c(=O)[nH]1.Cc1nc2c(ncn2C(C)C)c(=O)[nH]1.Cc1nc2c(ncn2C(C)C)c(=O)[nH]1
• InChI: InChI=1S/C12H18N4.2C11H16N4O.C10H14N4.C10H13N3O.C10H13N3S.C9H11FN4O.C9H13N5.2C9H12N4O.C8H11N5.C8H10N4O/c1-4-6-13-10-5-7-14-12-11(10)15-8-16(12)9(2)3;1-5-16-11-9-10(13-8(4)14-11)15(6-12-9)7(2)3;1-8(2)15-7-14-10-9(12-5-6-16)3-4-13-11(10)15;1-4-9-11-5-8-10(13-9)14(6-12-8)7(2)3;2*1-7(2)13-6-12-9-8(14-3)4-5-11-10(9)13;1-4(2)14-7-6(13-9(14)10)8(15)12-5(3)11-7;1-5(2)14-4-11-7-8(10)12-6(3)13-9(7)14;2*1-5(2)13-4-10-7-8(13)11-6(3)12-9(7)14;1-5(2)7-11-12-8-6(9)3-4-10-13(7)8;1-5(2)6-10-11-7-8(13)9-3-4-12(6)7/h5,7-9H,4,6H2,1-3H3,(H,13,14);6-7H,5H2,1-4H3;3-4,7-8,16H,5-6H2,1-2H3,(H,12,13);5-7H,4H2,1-3H3;2*4-7H,1-3H3;4H,1-3H3,(H,11,12,15);4-5H,1-3H3,(H2,10,12,13);2*4-5H,1-3H3,(H,11,12,14);3-5H,9H2,1-2H3;3-5H,1-2H3,(H,9,13)
• InChIKey: BOFSGIMBIPWSNI-UHFFFAOYSA-N
• XLogP: 18.92
• TPSA: 665.27 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 52
• Rotatable Bonds: 23
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2388.94
LogP ≤ 5	18.92
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	52

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-methyl-9-propan-2-ylpurine;2-ethyl-9-propan-2-ylpurine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;2-methyl-9-propan-2-ylpurin-6-amine;bis(2-methyl-9-propan-2-yl-1H-purin-6-one);7-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridine;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;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?

The IUPAC name of 6-ethoxy-2-methyl-9-propan-2-ylpurine;2-ethyl-9-propan-2-ylpurine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;2-methyl-9-propan-2-ylpurin-6-amine;bis(2-methyl-9-propan-2-yl-1H-purin-6-one);7-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridine;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;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine (CID 157410545) is 6-ethoxy-2-methyl-9-propan-2-ylpurine;2-ethyl-9-propan-2-ylpurine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;2-methyl-9-propan-2-ylpurin-6-amine;bis(2-methyl-9-propan-2-yl-1H-purin-6-one);7-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridine;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;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine.

What is the SMILES notation for 6-ethoxy-2-methyl-9-propan-2-ylpurine;2-ethyl-9-propan-2-ylpurine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;2-methyl-9-propan-2-ylpurin-6-amine;bis(2-methyl-9-propan-2-yl-1H-purin-6-one);7-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridine;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;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?

The canonical SMILES for 6-ethoxy-2-methyl-9-propan-2-ylpurine;2-ethyl-9-propan-2-ylpurine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;2-methyl-9-propan-2-ylpurin-6-amine;bis(2-methyl-9-propan-2-yl-1H-purin-6-one);7-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridine;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;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine is CC(C)c1nnc2c(=O)[nH]ccn12.CC(C)c1nnc2c(N)ccnn12.CC(C)n1cnc2c(NCCO)ccnc21.CCCNc1ccnc2c1ncn2C(C)C.CCOc1nc(C)nc2c1ncn2C(C)C.CCc1ncc2ncn(C(C)C)c2n1.COc1ccnc2c1ncn2C(C)C.CSc1ccnc2c1ncn2C(C)C.Cc1nc(N)c2ncn(C(C)C)c2n1.Cc1nc2c(nc(F)n2C(C)C)c(=O)[nH]1.Cc1nc2c(ncn2C(C)C)c(=O)[nH]1.Cc1nc2c(ncn2C(C)C)c(=O)[nH]1.

What is the InChIKey of 6-ethoxy-2-methyl-9-propan-2-ylpurine;2-ethyl-9-propan-2-ylpurine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;2-methyl-9-propan-2-ylpurin-6-amine;bis(2-methyl-9-propan-2-yl-1H-purin-6-one);7-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridine;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;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?

The InChIKey is BOFSGIMBIPWSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4.2C11H16N4O.C10H14N4.C10H13N3O.C10H13N3S.C9H11FN4O.C9H13N5.2C9H12N4O.C8H11N5.C8H10N4O/c1-4-6-13-10-5-7-14-12-11(10)15-8-16(12)9(2)3;1-5-16-11-9-10(13-8(4)14-11)15(6-12-9)7(2)3;1-8(2)15-7-14-10-9(12-5-6-16)3-4-13-11(10)15;1-4-9-11-5-8-10(13-9)14(6-12-8)7(2)3;2*1-7(2)13-6-12-9-8(14-3)4-5-11-10(9)13;1-4(2)14-7-6(13-9(14)10)8(15)12-5(3)11-7;1-5(2)14-4-11-7-8(10)12-6(3)13-9(7)14;2*1-5(2)13-4-10-7-8(13)11-6(3)12-9(7)14;1-5(2)7-11-12-8-6(9)3-4-10-13(7)8;1-5(2)6-10-11-7-8(13)9-3-4-12(6)7/h5,7-9H,4,6H2,1-3H3,(H,13,14);6-7H,5H2,1-4H3;3-4,7-8,16H,5-6H2,1-2H3,(H,12,13);5-7H,4H2,1-3H3;2*4-7H,1-3H3;4H,1-3H3,(H,11,12,15);4-5H,1-3H3,(H2,10,12,13);2*4-5H,1-3H3,(H,11,12,14);3-5H,9H2,1-2H3;3-5H,1-2H3,(H,9,13).

What are the key properties of 6-ethoxy-2-methyl-9-propan-2-ylpurine;2-ethyl-9-propan-2-ylpurine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;2-methyl-9-propan-2-ylpurin-6-amine;bis(2-methyl-9-propan-2-yl-1H-purin-6-one);7-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridine;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;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?

6-ethoxy-2-methyl-9-propan-2-ylpurine;2-ethyl-9-propan-2-ylpurine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;2-methyl-9-propan-2-ylpurin-6-amine;bis(2-methyl-9-propan-2-yl-1H-purin-6-one);7-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridine;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;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine has a molecular weight of 2388.94 g/mol, XLogP of 18.92, 23 rotatable bonds, 9 hydrogen bond donors, and 52 hydrogen bond acceptors.

Where does this data come from?

All data for 6-ethoxy-2-methyl-9-propan-2-ylpurine;2-ethyl-9-propan-2-ylpurine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;7-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine;2-methyl-9-propan-2-ylpurin-6-amine;bis(2-methyl-9-propan-2-yl-1H-purin-6-one);7-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridine;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;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine is sourced from PubChem (CID 157410545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).