4-N-(1,3-benzodioxol-5-yl)-5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(4-chlorophenyl)-5-fluoro-2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-4,6-diamine;5-fluoro-2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine;5-fluoro-2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-N-(4-methylphenyl)pyrimidine-4,6-diamine;5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine

C96H81ClF8N30O6 — CID 157311143

About 4-N-(1,3-benzodioxol-5-yl)-5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(4-chlorophenyl)-5-fluoro-2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-4,6-diamine;5-fluoro-2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine;5-fluoro-2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-N-(4-methylphenyl)pyrimidine-4,6-diamine;5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine

4-N-(1,3-benzodioxol-5-yl)-5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(4-chlorophenyl)-5-fluoro-2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-4,6-diamine;5-fluoro-2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine;5-fluoro-2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-N-(4-methylphenyl)pyrimidine-4,6-diamine;5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine (PubChem CID 157311143) has the molecular formula C96H81ClF8N30O6 and a molecular weight of 1938.34 g/mol. Its IUPAC name is 4-N-(1,3-benzodioxol-5-yl)-5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(4-chlorophenyl)-5-fluoro-2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-4,6-diamine;5-fluoro-2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine;5-fluoro-2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-N-(4-methylphenyl)pyrimidine-4,6-diamine;5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine.

Molecular Properties

• Compound Name: 4-N-(1,3-benzodioxol-5-yl)-5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(4-chlorophenyl)-5-fluoro-2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-4,6-diamine;5-fluoro-2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine;5-fluoro-2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-N-(4-methylphenyl)pyrimidine-4,6-diamine;5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine
• PubChem CID: 157311143
• Molecular Formula: C96H81ClF8N30O6
• Molecular Weight: 1938.34 g/mol
• Exact Mass: 1936.65
• IUPAC Name: 4-N-(1,3-benzodioxol-5-yl)-5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(4-chlorophenyl)-5-fluoro-2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-4,6-diamine;5-fluoro-2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine;5-fluoro-2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-N-(4-methylphenyl)pyrimidine-4,6-diamine;5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine
• SMILES: COc1ccc(Nc2nc(-c3c(C)nc4ccc(F)cn34)nc(N)c2F)cc1.COc1ccc(Nc2nc(-n3c(C)nc4ccc(OC)cc43)nc(N)c2F)cc1.COc1ccc2nc(C)n(-c3nc(N)c(F)c(Nc4ccc5c(c4)OCO5)n3)c2c1.Cc1ccc(Nc2nc(-c3c(C)nc4ccc(F)cn34)nc(N)c2F)cc1.Cc1nc2ccc(F)cn2c1-c1nc(N)c(F)c(Nc2ccc(Cl)cc2)n1
• InChI: InChI=1S/C20H17FN6O3.C20H19FN6O2.C19H16F2N6O.C19H16F2N6.C18H13ClF2N6/c1-10-23-13-5-4-12(28-2)8-14(13)27(10)20-25-18(22)17(21)19(26-20)24-11-3-6-15-16(7-11)30-9-29-15;1-11-23-15-9-8-14(29-3)10-16(15)27(11)20-25-18(22)17(21)19(26-20)24-12-4-6-13(28-2)7-5-12;1-10-16(27-9-11(20)3-8-14(27)23-10)19-25-17(22)15(21)18(26-19)24-12-4-6-13(28-2)7-5-12;1-10-3-6-13(7-4-10)24-18-15(21)17(22)25-19(26-18)16-11(2)23-14-8-5-12(20)9-27(14)16;1-9-15(27-8-11(20)4-7-13(27)23-9)18-25-16(22)14(21)17(26-18)24-12-5-2-10(19)3-6-12/h3-8H,9H2,1-2H3,(H3,22,24,25,26);4-10H,1-3H3,(H3,22,24,25,26);3-9H,1-2H3,(H3,22,24,25,26);3-9H,1-2H3,(H3,22,24,25,26);2-8H,1H3,(H3,22,24,25,26)
• InChIKey: BDBAFSDZAUFKSB-UHFFFAOYSA-N
• XLogP: 19.01
• TPSA: 462.07 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 36
• Rotatable Bonds: 19
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1938.34
LogP ≤ 5	19.01
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of 4-N-(1,3-benzodioxol-5-yl)-5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(4-chlorophenyl)-5-fluoro-2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-4,6-diamine;5-fluoro-2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine;5-fluoro-2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-N-(4-methylphenyl)pyrimidine-4,6-diamine;5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine?

The IUPAC name of 4-N-(1,3-benzodioxol-5-yl)-5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(4-chlorophenyl)-5-fluoro-2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-4,6-diamine;5-fluoro-2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine;5-fluoro-2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-N-(4-methylphenyl)pyrimidine-4,6-diamine;5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine (CID 157311143) is 4-N-(1,3-benzodioxol-5-yl)-5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(4-chlorophenyl)-5-fluoro-2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-4,6-diamine;5-fluoro-2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine;5-fluoro-2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-N-(4-methylphenyl)pyrimidine-4,6-diamine;5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine.

What is the SMILES notation for 4-N-(1,3-benzodioxol-5-yl)-5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(4-chlorophenyl)-5-fluoro-2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-4,6-diamine;5-fluoro-2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine;5-fluoro-2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-N-(4-methylphenyl)pyrimidine-4,6-diamine;5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine?

The canonical SMILES for 4-N-(1,3-benzodioxol-5-yl)-5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(4-chlorophenyl)-5-fluoro-2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-4,6-diamine;5-fluoro-2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine;5-fluoro-2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-N-(4-methylphenyl)pyrimidine-4,6-diamine;5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine is COc1ccc(Nc2nc(-c3c(C)nc4ccc(F)cn34)nc(N)c2F)cc1.COc1ccc(Nc2nc(-n3c(C)nc4ccc(OC)cc43)nc(N)c2F)cc1.COc1ccc2nc(C)n(-c3nc(N)c(F)c(Nc4ccc5c(c4)OCO5)n3)c2c1.Cc1ccc(Nc2nc(-c3c(C)nc4ccc(F)cn34)nc(N)c2F)cc1.Cc1nc2ccc(F)cn2c1-c1nc(N)c(F)c(Nc2ccc(Cl)cc2)n1.

What is the InChIKey of 4-N-(1,3-benzodioxol-5-yl)-5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(4-chlorophenyl)-5-fluoro-2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-4,6-diamine;5-fluoro-2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine;5-fluoro-2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-N-(4-methylphenyl)pyrimidine-4,6-diamine;5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine?

The InChIKey is BDBAFSDZAUFKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN6O3.C20H19FN6O2.C19H16F2N6O.C19H16F2N6.C18H13ClF2N6/c1-10-23-13-5-4-12(28-2)8-14(13)27(10)20-25-18(22)17(21)19(26-20)24-11-3-6-15-16(7-11)30-9-29-15;1-11-23-15-9-8-14(29-3)10-16(15)27(11)20-25-18(22)17(21)19(26-20)24-12-4-6-13(28-2)7-5-12;1-10-16(27-9-11(20)3-8-14(27)23-10)19-25-17(22)15(21)18(26-19)24-12-4-6-13(28-2)7-5-12;1-10-3-6-13(7-4-10)24-18-15(21)17(22)25-19(26-18)16-11(2)23-14-8-5-12(20)9-27(14)16;1-9-15(27-8-11(20)4-7-13(27)23-9)18-25-16(22)14(21)17(26-18)24-12-5-2-10(19)3-6-12/h3-8H,9H2,1-2H3,(H3,22,24,25,26);4-10H,1-3H3,(H3,22,24,25,26);3-9H,1-2H3,(H3,22,24,25,26);3-9H,1-2H3,(H3,22,24,25,26);2-8H,1H3,(H3,22,24,25,26).

What are the key properties of 4-N-(1,3-benzodioxol-5-yl)-5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(4-chlorophenyl)-5-fluoro-2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-4,6-diamine;5-fluoro-2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine;5-fluoro-2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-N-(4-methylphenyl)pyrimidine-4,6-diamine;5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine?

4-N-(1,3-benzodioxol-5-yl)-5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(4-chlorophenyl)-5-fluoro-2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-4,6-diamine;5-fluoro-2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine;5-fluoro-2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-N-(4-methylphenyl)pyrimidine-4,6-diamine;5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine has a molecular weight of 1938.34 g/mol, XLogP of 19.01, 19 rotatable bonds, 10 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-(1,3-benzodioxol-5-yl)-5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(4-chlorophenyl)-5-fluoro-2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-4,6-diamine;5-fluoro-2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine;5-fluoro-2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-N-(4-methylphenyl)pyrimidine-4,6-diamine;5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 157311143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).