6-(6-bromo-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;4-chloro-6-(6-fluoro-2-methylbenzimidazol-1-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-amine;6-(2,6-dimethylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(5-fluoro-2-methylbenzimidazol-1-yl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine;6-(6-fluoro-2-methylbenzimidazol-1-yl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine;6-(2-methylbenzimidazol-1-yl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine

C111H82BrClF21N39 — CID 157213669

About 6-(6-bromo-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;4-chloro-6-(6-fluoro-2-methylbenzimidazol-1-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-amine;6-(2,6-dimethylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(5-fluoro-2-methylbenzimidazol-1-yl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine;6-(6-fluoro-2-methylbenzimidazol-1-yl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine;6-(2-methylbenzimidazol-1-yl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine

6-(6-bromo-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;4-chloro-6-(6-fluoro-2-methylbenzimidazol-1-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-amine;6-(2,6-dimethylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(5-fluoro-2-methylbenzimidazol-1-yl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine;6-(6-fluoro-2-methylbenzimidazol-1-yl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine;6-(2-methylbenzimidazol-1-yl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine (PubChem CID 157213669) has the molecular formula C111H82BrClF21N39 and a molecular weight of 2476.46 g/mol. Its IUPAC name is 6-(6-bromo-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;4-chloro-6-(6-fluoro-2-methylbenzimidazol-1-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-amine;6-(2,6-dimethylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(5-fluoro-2-methylbenzimidazol-1-yl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine;6-(6-fluoro-2-methylbenzimidazol-1-yl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine;6-(2-methylbenzimidazol-1-yl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 6-(6-bromo-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;4-chloro-6-(6-fluoro-2-methylbenzimidazol-1-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-amine;6-(2,6-dimethylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(5-fluoro-2-methylbenzimidazol-1-yl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine;6-(6-fluoro-2-methylbenzimidazol-1-yl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine;6-(2-methylbenzimidazol-1-yl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine
• PubChem CID: 157213669
• Molecular Formula: C111H82BrClF21N39
• Molecular Weight: 2476.46 g/mol
• Exact Mass: 2473.62
• IUPAC Name: 6-(6-bromo-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;4-chloro-6-(6-fluoro-2-methylbenzimidazol-1-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-amine;6-(2,6-dimethylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(5-fluoro-2-methylbenzimidazol-1-yl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine;6-(6-fluoro-2-methylbenzimidazol-1-yl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine;6-(2-methylbenzimidazol-1-yl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine
• SMILES: Cc1ccc2nc(C)n(-c3cc(N)nc(Nc4ccc(C(F)(F)F)cc4)n3)c2c1.Cc1nc2cc(F)ccc2n1-c1cc(N)nc(Nc2ccc(C(F)(F)F)nc2)n1.Cc1nc2ccc(Br)cc2n1-c1cc(N)nc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ccc(F)cc2n1-c1cc(Cl)nc(Nc2ccc(C(F)(F)F)nc2)n1.Cc1nc2ccc(F)cc2n1-c1cc(N)nc(Nc2ccc(C(F)(F)F)nc2)n1.Cc1nc2ccccc2n1-c1cc(N)nc(Nc2ccc(C(F)(F)F)nc2)n1
• InChI: InChI=1S/C20H17F3N6.C19H14BrF3N6.C18H11ClF4N6.2C18H13F4N7.C18H14F3N7/c1-11-3-8-15-16(9-11)29(12(2)25-15)18-10-17(24)27-19(28-18)26-14-6-4-13(5-7-14)20(21,22)23;1-10-25-14-7-4-12(20)8-15(14)29(10)17-9-16(24)27-18(28-17)26-13-5-2-11(3-6-13)19(21,22)23;1-9-25-12-4-2-10(20)6-13(12)29(9)16-7-15(19)27-17(28-16)26-11-3-5-14(24-8-11)18(21,22)23;1-9-25-12-6-10(19)2-4-13(12)29(9)16-7-15(23)27-17(28-16)26-11-3-5-14(24-8-11)18(20,21)22;1-9-25-12-4-2-10(19)6-13(12)29(9)16-7-15(23)27-17(28-16)26-11-3-5-14(24-8-11)18(20,21)22;1-10-24-12-4-2-3-5-13(12)28(10)16-8-15(22)26-17(27-16)25-11-6-7-14(23-9-11)18(19,20)21/h3-10H,1-2H3,(H3,24,26,27,28);2-9H,1H3,(H3,24,26,27,28);2-8H,1H3,(H,26,27,28);2*2-8H,1H3,(H3,23,26,27,28);2-9H,1H3,(H3,22,25,26,27)
• InChIKey: ASEBQBWWXNXFTB-UHFFFAOYSA-N
• XLogP: 26.95
• TPSA: 515.44 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 39
• Rotatable Bonds: 18
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2476.46
LogP ≤ 5	26.95
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of 6-(6-bromo-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;4-chloro-6-(6-fluoro-2-methylbenzimidazol-1-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-amine;6-(2,6-dimethylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(5-fluoro-2-methylbenzimidazol-1-yl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine;6-(6-fluoro-2-methylbenzimidazol-1-yl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine;6-(2-methylbenzimidazol-1-yl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine?

The IUPAC name of 6-(6-bromo-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;4-chloro-6-(6-fluoro-2-methylbenzimidazol-1-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-amine;6-(2,6-dimethylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(5-fluoro-2-methylbenzimidazol-1-yl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine;6-(6-fluoro-2-methylbenzimidazol-1-yl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine;6-(2-methylbenzimidazol-1-yl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine (CID 157213669) is 6-(6-bromo-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;4-chloro-6-(6-fluoro-2-methylbenzimidazol-1-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-amine;6-(2,6-dimethylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(5-fluoro-2-methylbenzimidazol-1-yl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine;6-(6-fluoro-2-methylbenzimidazol-1-yl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine;6-(2-methylbenzimidazol-1-yl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine.

What is the SMILES notation for 6-(6-bromo-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;4-chloro-6-(6-fluoro-2-methylbenzimidazol-1-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-amine;6-(2,6-dimethylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(5-fluoro-2-methylbenzimidazol-1-yl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine;6-(6-fluoro-2-methylbenzimidazol-1-yl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine;6-(2-methylbenzimidazol-1-yl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine?

The canonical SMILES for 6-(6-bromo-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;4-chloro-6-(6-fluoro-2-methylbenzimidazol-1-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-amine;6-(2,6-dimethylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(5-fluoro-2-methylbenzimidazol-1-yl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine;6-(6-fluoro-2-methylbenzimidazol-1-yl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine;6-(2-methylbenzimidazol-1-yl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine is Cc1ccc2nc(C)n(-c3cc(N)nc(Nc4ccc(C(F)(F)F)cc4)n3)c2c1.Cc1nc2cc(F)ccc2n1-c1cc(N)nc(Nc2ccc(C(F)(F)F)nc2)n1.Cc1nc2ccc(Br)cc2n1-c1cc(N)nc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ccc(F)cc2n1-c1cc(Cl)nc(Nc2ccc(C(F)(F)F)nc2)n1.Cc1nc2ccc(F)cc2n1-c1cc(N)nc(Nc2ccc(C(F)(F)F)nc2)n1.Cc1nc2ccccc2n1-c1cc(N)nc(Nc2ccc(C(F)(F)F)nc2)n1.

What is the InChIKey of 6-(6-bromo-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;4-chloro-6-(6-fluoro-2-methylbenzimidazol-1-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-amine;6-(2,6-dimethylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(5-fluoro-2-methylbenzimidazol-1-yl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine;6-(6-fluoro-2-methylbenzimidazol-1-yl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine;6-(2-methylbenzimidazol-1-yl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine?

The InChIKey is ASEBQBWWXNXFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N6.C19H14BrF3N6.C18H11ClF4N6.2C18H13F4N7.C18H14F3N7/c1-11-3-8-15-16(9-11)29(12(2)25-15)18-10-17(24)27-19(28-18)26-14-6-4-13(5-7-14)20(21,22)23;1-10-25-14-7-4-12(20)8-15(14)29(10)17-9-16(24)27-18(28-17)26-13-5-2-11(3-6-13)19(21,22)23;1-9-25-12-4-2-10(20)6-13(12)29(9)16-7-15(19)27-17(28-16)26-11-3-5-14(24-8-11)18(21,22)23;1-9-25-12-6-10(19)2-4-13(12)29(9)16-7-15(23)27-17(28-16)26-11-3-5-14(24-8-11)18(20,21)22;1-9-25-12-4-2-10(19)6-13(12)29(9)16-7-15(23)27-17(28-16)26-11-3-5-14(24-8-11)18(20,21)22;1-10-24-12-4-2-3-5-13(12)28(10)16-8-15(22)26-17(27-16)25-11-6-7-14(23-9-11)18(19,20)21/h3-10H,1-2H3,(H3,24,26,27,28);2-9H,1H3,(H3,24,26,27,28);2-8H,1H3,(H,26,27,28);2*2-8H,1H3,(H3,23,26,27,28);2-9H,1H3,(H3,22,25,26,27).

What are the key properties of 6-(6-bromo-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;4-chloro-6-(6-fluoro-2-methylbenzimidazol-1-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-amine;6-(2,6-dimethylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(5-fluoro-2-methylbenzimidazol-1-yl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine;6-(6-fluoro-2-methylbenzimidazol-1-yl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine;6-(2-methylbenzimidazol-1-yl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine?

6-(6-bromo-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;4-chloro-6-(6-fluoro-2-methylbenzimidazol-1-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-amine;6-(2,6-dimethylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(5-fluoro-2-methylbenzimidazol-1-yl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine;6-(6-fluoro-2-methylbenzimidazol-1-yl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine;6-(2-methylbenzimidazol-1-yl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine has a molecular weight of 2476.46 g/mol, XLogP of 26.95, 18 rotatable bonds, 11 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(6-bromo-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;4-chloro-6-(6-fluoro-2-methylbenzimidazol-1-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-amine;6-(2,6-dimethylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(5-fluoro-2-methylbenzimidazol-1-yl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine;6-(6-fluoro-2-methylbenzimidazol-1-yl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine;6-(2-methylbenzimidazol-1-yl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 157213669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).