4-N-(4-chloro-3-fluorophenyl)-2-(2-cyclopropylbenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine;4-N-(4-chlorophenyl)-2-(2-cyclopropylbenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine;2-(2,5-dimethylbenzimidazol-1-yl)-5-fluoro-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine;5-fluoro-2-(5-fluoro-2-methylbenzimidazol-1-yl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine;5-fluoro-2-(5-fluoro-2-methylbenzimidazol-1-yl)-4-N-(4-methylphenyl)pyrimidine-4,6-diamine

C98H79Cl2F11N30O2 — CID 159761900

About 4-N-(4-chloro-3-fluorophenyl)-2-(2-cyclopropylbenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine;4-N-(4-chlorophenyl)-2-(2-cyclopropylbenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine;2-(2,5-dimethylbenzimidazol-1-yl)-5-fluoro-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine;5-fluoro-2-(5-fluoro-2-methylbenzimidazol-1-yl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine;5-fluoro-2-(5-fluoro-2-methylbenzimidazol-1-yl)-4-N-(4-methylphenyl)pyrimidine-4,6-diamine

4-N-(4-chloro-3-fluorophenyl)-2-(2-cyclopropylbenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine;4-N-(4-chlorophenyl)-2-(2-cyclopropylbenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine;2-(2,5-dimethylbenzimidazol-1-yl)-5-fluoro-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine;5-fluoro-2-(5-fluoro-2-methylbenzimidazol-1-yl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine;5-fluoro-2-(5-fluoro-2-methylbenzimidazol-1-yl)-4-N-(4-methylphenyl)pyrimidine-4,6-diamine (PubChem CID 159761900) has the molecular formula C98H79Cl2F11N30O2 and a molecular weight of 1988.80 g/mol. Its IUPAC name is 4-N-(4-chloro-3-fluorophenyl)-2-(2-cyclopropylbenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine;4-N-(4-chlorophenyl)-2-(2-cyclopropylbenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine;2-(2,5-dimethylbenzimidazol-1-yl)-5-fluoro-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine;5-fluoro-2-(5-fluoro-2-methylbenzimidazol-1-yl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine;5-fluoro-2-(5-fluoro-2-methylbenzimidazol-1-yl)-4-N-(4-methylphenyl)pyrimidine-4,6-diamine.

Molecular Properties

• Compound Name: 4-N-(4-chloro-3-fluorophenyl)-2-(2-cyclopropylbenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine;4-N-(4-chlorophenyl)-2-(2-cyclopropylbenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine;2-(2,5-dimethylbenzimidazol-1-yl)-5-fluoro-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine;5-fluoro-2-(5-fluoro-2-methylbenzimidazol-1-yl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine;5-fluoro-2-(5-fluoro-2-methylbenzimidazol-1-yl)-4-N-(4-methylphenyl)pyrimidine-4,6-diamine
• PubChem CID: 159761900
• Molecular Formula: C98H79Cl2F11N30O2
• Molecular Weight: 1988.80 g/mol
• Exact Mass: 1986.62
• IUPAC Name: 4-N-(4-chloro-3-fluorophenyl)-2-(2-cyclopropylbenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine;4-N-(4-chlorophenyl)-2-(2-cyclopropylbenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine;2-(2,5-dimethylbenzimidazol-1-yl)-5-fluoro-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine;5-fluoro-2-(5-fluoro-2-methylbenzimidazol-1-yl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine;5-fluoro-2-(5-fluoro-2-methylbenzimidazol-1-yl)-4-N-(4-methylphenyl)pyrimidine-4,6-diamine
• SMILES: COc1ccc(Nc2nc(-n3c(C)nc4cc(F)ccc43)nc(N)c2F)cc1.Cc1ccc(Nc2nc(-n3c(C)nc4cc(F)ccc43)nc(N)c2F)cc1.Cc1ccc2c(c1)nc(C)n2-c1nc(N)c(F)c(Nc2ccc(OC(F)(F)F)cc2)n1.Nc1nc(-n2c(C3CC3)nc3ccccc32)nc(Nc2ccc(Cl)c(F)c2)c1F.Nc1nc(-n2c(C3CC3)nc3ccccc32)nc(Nc2ccc(Cl)cc2)c1F
• InChI: InChI=1S/C20H15ClF2N6.C20H16ClFN6.C20H16F4N6O.C19H16F2N6O.C19H16F2N6/c21-12-8-7-11(9-13(12)22)25-18-16(23)17(24)27-20(28-18)29-15-4-2-1-3-14(15)26-19(29)10-5-6-10;21-12-7-9-13(10-8-12)24-18-16(22)17(23)26-20(27-18)28-15-4-2-1-3-14(15)25-19(28)11-5-6-11;1-10-3-8-15-14(9-10)26-11(2)30(15)19-28-17(25)16(21)18(29-19)27-12-4-6-13(7-5-12)31-20(22,23)24;1-10-23-14-9-11(20)3-8-15(14)27(10)19-25-17(22)16(21)18(26-19)24-12-4-6-13(28-2)7-5-12;1-10-3-6-13(7-4-10)24-18-16(21)17(22)25-19(26-18)27-11(2)23-14-9-12(20)5-8-15(14)27/h1-4,7-10H,5-6H2,(H3,24,25,27,28);1-4,7-11H,5-6H2,(H3,23,24,26,27);3-9H,1-2H3,(H3,25,27,28,29);3-9H,1-2H3,(H3,22,24,25,26);3-9H,1-2H3,(H3,22,24,25,26)
• InChIKey: NEZOTWOOHPJXMV-UHFFFAOYSA-N
• XLogP: 22.33
• TPSA: 426.71 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 32
• Rotatable Bonds: 19
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1988.80
LogP ≤ 5	22.33
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-chloro-3-fluorophenyl)-2-(2-cyclopropylbenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine;4-N-(4-chlorophenyl)-2-(2-cyclopropylbenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine;2-(2,5-dimethylbenzimidazol-1-yl)-5-fluoro-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine;5-fluoro-2-(5-fluoro-2-methylbenzimidazol-1-yl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine;5-fluoro-2-(5-fluoro-2-methylbenzimidazol-1-yl)-4-N-(4-methylphenyl)pyrimidine-4,6-diamine?

The IUPAC name of 4-N-(4-chloro-3-fluorophenyl)-2-(2-cyclopropylbenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine;4-N-(4-chlorophenyl)-2-(2-cyclopropylbenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine;2-(2,5-dimethylbenzimidazol-1-yl)-5-fluoro-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine;5-fluoro-2-(5-fluoro-2-methylbenzimidazol-1-yl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine;5-fluoro-2-(5-fluoro-2-methylbenzimidazol-1-yl)-4-N-(4-methylphenyl)pyrimidine-4,6-diamine (CID 159761900) is 4-N-(4-chloro-3-fluorophenyl)-2-(2-cyclopropylbenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine;4-N-(4-chlorophenyl)-2-(2-cyclopropylbenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine;2-(2,5-dimethylbenzimidazol-1-yl)-5-fluoro-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine;5-fluoro-2-(5-fluoro-2-methylbenzimidazol-1-yl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine;5-fluoro-2-(5-fluoro-2-methylbenzimidazol-1-yl)-4-N-(4-methylphenyl)pyrimidine-4,6-diamine.

What is the SMILES notation for 4-N-(4-chloro-3-fluorophenyl)-2-(2-cyclopropylbenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine;4-N-(4-chlorophenyl)-2-(2-cyclopropylbenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine;2-(2,5-dimethylbenzimidazol-1-yl)-5-fluoro-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine;5-fluoro-2-(5-fluoro-2-methylbenzimidazol-1-yl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine;5-fluoro-2-(5-fluoro-2-methylbenzimidazol-1-yl)-4-N-(4-methylphenyl)pyrimidine-4,6-diamine?

The canonical SMILES for 4-N-(4-chloro-3-fluorophenyl)-2-(2-cyclopropylbenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine;4-N-(4-chlorophenyl)-2-(2-cyclopropylbenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine;2-(2,5-dimethylbenzimidazol-1-yl)-5-fluoro-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine;5-fluoro-2-(5-fluoro-2-methylbenzimidazol-1-yl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine;5-fluoro-2-(5-fluoro-2-methylbenzimidazol-1-yl)-4-N-(4-methylphenyl)pyrimidine-4,6-diamine is COc1ccc(Nc2nc(-n3c(C)nc4cc(F)ccc43)nc(N)c2F)cc1.Cc1ccc(Nc2nc(-n3c(C)nc4cc(F)ccc43)nc(N)c2F)cc1.Cc1ccc2c(c1)nc(C)n2-c1nc(N)c(F)c(Nc2ccc(OC(F)(F)F)cc2)n1.Nc1nc(-n2c(C3CC3)nc3ccccc32)nc(Nc2ccc(Cl)c(F)c2)c1F.Nc1nc(-n2c(C3CC3)nc3ccccc32)nc(Nc2ccc(Cl)cc2)c1F.

What is the InChIKey of 4-N-(4-chloro-3-fluorophenyl)-2-(2-cyclopropylbenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine;4-N-(4-chlorophenyl)-2-(2-cyclopropylbenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine;2-(2,5-dimethylbenzimidazol-1-yl)-5-fluoro-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine;5-fluoro-2-(5-fluoro-2-methylbenzimidazol-1-yl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine;5-fluoro-2-(5-fluoro-2-methylbenzimidazol-1-yl)-4-N-(4-methylphenyl)pyrimidine-4,6-diamine?

The InChIKey is NEZOTWOOHPJXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClF2N6.C20H16ClFN6.C20H16F4N6O.C19H16F2N6O.C19H16F2N6/c21-12-8-7-11(9-13(12)22)25-18-16(23)17(24)27-20(28-18)29-15-4-2-1-3-14(15)26-19(29)10-5-6-10;21-12-7-9-13(10-8-12)24-18-16(22)17(23)26-20(27-18)28-15-4-2-1-3-14(15)25-19(28)11-5-6-11;1-10-3-8-15-14(9-10)26-11(2)30(15)19-28-17(25)16(21)18(29-19)27-12-4-6-13(7-5-12)31-20(22,23)24;1-10-23-14-9-11(20)3-8-15(14)27(10)19-25-17(22)16(21)18(26-19)24-12-4-6-13(28-2)7-5-12;1-10-3-6-13(7-4-10)24-18-16(21)17(22)25-19(26-18)27-11(2)23-14-9-12(20)5-8-15(14)27/h1-4,7-10H,5-6H2,(H3,24,25,27,28);1-4,7-11H,5-6H2,(H3,23,24,26,27);3-9H,1-2H3,(H3,25,27,28,29);3-9H,1-2H3,(H3,22,24,25,26);3-9H,1-2H3,(H3,22,24,25,26).

What are the key properties of 4-N-(4-chloro-3-fluorophenyl)-2-(2-cyclopropylbenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine;4-N-(4-chlorophenyl)-2-(2-cyclopropylbenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine;2-(2,5-dimethylbenzimidazol-1-yl)-5-fluoro-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine;5-fluoro-2-(5-fluoro-2-methylbenzimidazol-1-yl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine;5-fluoro-2-(5-fluoro-2-methylbenzimidazol-1-yl)-4-N-(4-methylphenyl)pyrimidine-4,6-diamine?

4-N-(4-chloro-3-fluorophenyl)-2-(2-cyclopropylbenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine;4-N-(4-chlorophenyl)-2-(2-cyclopropylbenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine;2-(2,5-dimethylbenzimidazol-1-yl)-5-fluoro-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine;5-fluoro-2-(5-fluoro-2-methylbenzimidazol-1-yl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine;5-fluoro-2-(5-fluoro-2-methylbenzimidazol-1-yl)-4-N-(4-methylphenyl)pyrimidine-4,6-diamine has a molecular weight of 1988.80 g/mol, XLogP of 22.33, 19 rotatable bonds, 10 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-(4-chloro-3-fluorophenyl)-2-(2-cyclopropylbenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine;4-N-(4-chlorophenyl)-2-(2-cyclopropylbenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine;2-(2,5-dimethylbenzimidazol-1-yl)-5-fluoro-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine;5-fluoro-2-(5-fluoro-2-methylbenzimidazol-1-yl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine;5-fluoro-2-(5-fluoro-2-methylbenzimidazol-1-yl)-4-N-(4-methylphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 159761900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).