4-N-(4-chlorophenyl)-5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)-4-N-(4-methylphenyl)pyrimidine-4,6-diamine;5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine

C79H68ClF9N24O6 — CID 163650753

About 4-N-(4-chlorophenyl)-5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)-4-N-(4-methylphenyl)pyrimidine-4,6-diamine;5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine

4-N-(4-chlorophenyl)-5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)-4-N-(4-methylphenyl)pyrimidine-4,6-diamine;5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine (PubChem CID 163650753) has the molecular formula C79H68ClF9N24O6 and a molecular weight of 1656.01 g/mol. Its IUPAC name is 4-N-(4-chlorophenyl)-5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)-4-N-(4-methylphenyl)pyrimidine-4,6-diamine;5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine.

Molecular Properties

• Compound Name: 4-N-(4-chlorophenyl)-5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)-4-N-(4-methylphenyl)pyrimidine-4,6-diamine;5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine
• PubChem CID: 163650753
• Molecular Formula: C79H68ClF9N24O6
• Molecular Weight: 1656.01 g/mol
• Exact Mass: 1654.53
• IUPAC Name: 4-N-(4-chlorophenyl)-5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)-4-N-(4-methylphenyl)pyrimidine-4,6-diamine;5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine
• SMILES: COc1ccc2nc(C)n(-c3nc(N)c(F)c(Nc4ccc(C)cc4)n3)c2c1.COc1ccc2nc(C)n(-c3nc(N)c(F)c(Nc4ccc(Cl)cc4)n3)c2c1.COc1ccc2nc(C)n(-c3nc(N)c(F)c(Nc4ccc(OC(F)(F)F)cc4)n3)c2c1.COc1ccc2nc(C)n(-c3nc(N)c(F)c(Nc4ccc(OC(F)F)cc4)n3)c2c1
• InChI: InChI=1S/C20H16F4N6O2.C20H17F3N6O2.C20H19FN6O.C19H16ClFN6O/c1-10-26-14-8-7-13(31-2)9-15(14)30(10)19-28-17(25)16(21)18(29-19)27-11-3-5-12(6-4-11)32-20(22,23)24;1-10-25-14-8-7-13(30-2)9-15(14)29(10)20-27-17(24)16(21)18(28-20)26-11-3-5-12(6-4-11)31-19(22)23;1-11-4-6-13(7-5-11)24-19-17(21)18(22)25-20(26-19)27-12(2)23-15-9-8-14(28-3)10-16(15)27;1-10-23-14-8-7-13(28-2)9-15(14)27(10)19-25-17(22)16(21)18(26-19)24-12-5-3-11(20)4-6-12/h3-9H,1-2H3,(H3,25,27,28,29);3-9,19H,1-2H3,(H3,24,26,27,28);4-10H,1-3H3,(H3,22,24,25,26);3-9H,1-2H3,(H3,22,24,25,26)
• InChIKey: IMARQOPQIKOBMA-UHFFFAOYSA-N
• XLogP: 16.85
• TPSA: 381.98 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 30
• Rotatable Bonds: 19
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1656.01
LogP ≤ 5	16.85
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-chlorophenyl)-5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)-4-N-(4-methylphenyl)pyrimidine-4,6-diamine;5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine?

The IUPAC name of 4-N-(4-chlorophenyl)-5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)-4-N-(4-methylphenyl)pyrimidine-4,6-diamine;5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine (CID 163650753) is 4-N-(4-chlorophenyl)-5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)-4-N-(4-methylphenyl)pyrimidine-4,6-diamine;5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine.

What is the SMILES notation for 4-N-(4-chlorophenyl)-5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)-4-N-(4-methylphenyl)pyrimidine-4,6-diamine;5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine?

The canonical SMILES for 4-N-(4-chlorophenyl)-5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)-4-N-(4-methylphenyl)pyrimidine-4,6-diamine;5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine is COc1ccc2nc(C)n(-c3nc(N)c(F)c(Nc4ccc(C)cc4)n3)c2c1.COc1ccc2nc(C)n(-c3nc(N)c(F)c(Nc4ccc(Cl)cc4)n3)c2c1.COc1ccc2nc(C)n(-c3nc(N)c(F)c(Nc4ccc(OC(F)(F)F)cc4)n3)c2c1.COc1ccc2nc(C)n(-c3nc(N)c(F)c(Nc4ccc(OC(F)F)cc4)n3)c2c1.

What is the InChIKey of 4-N-(4-chlorophenyl)-5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)-4-N-(4-methylphenyl)pyrimidine-4,6-diamine;5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine?

The InChIKey is IMARQOPQIKOBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F4N6O2.C20H17F3N6O2.C20H19FN6O.C19H16ClFN6O/c1-10-26-14-8-7-13(31-2)9-15(14)30(10)19-28-17(25)16(21)18(29-19)27-11-3-5-12(6-4-11)32-20(22,23)24;1-10-25-14-8-7-13(30-2)9-15(14)29(10)20-27-17(24)16(21)18(28-20)26-11-3-5-12(6-4-11)31-19(22)23;1-11-4-6-13(7-5-11)24-19-17(21)18(22)25-20(26-19)27-12(2)23-15-9-8-14(28-3)10-16(15)27;1-10-23-14-8-7-13(28-2)9-15(14)27(10)19-25-17(22)16(21)18(26-19)24-12-5-3-11(20)4-6-12/h3-9H,1-2H3,(H3,25,27,28,29);3-9,19H,1-2H3,(H3,24,26,27,28);4-10H,1-3H3,(H3,22,24,25,26);3-9H,1-2H3,(H3,22,24,25,26).

What are the key properties of 4-N-(4-chlorophenyl)-5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)-4-N-(4-methylphenyl)pyrimidine-4,6-diamine;5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine?

4-N-(4-chlorophenyl)-5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)-4-N-(4-methylphenyl)pyrimidine-4,6-diamine;5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine has a molecular weight of 1656.01 g/mol, XLogP of 16.85, 19 rotatable bonds, 8 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-(4-chlorophenyl)-5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)-4-N-(4-methylphenyl)pyrimidine-4,6-diamine;5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 163650753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).