6-(5-chloro-2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(6-chloro-2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)phenyl]pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-[2-(difluoromethyl)benzimidazol-1-yl]pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-propan-2-ylbenzimidazol-1-yl)pyrimidine-2,4-diamine;6-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine

C123H101Cl2F17N36O3 — CID 158341103

About 6-(5-chloro-2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(6-chloro-2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)phenyl]pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-[2-(difluoromethyl)benzimidazol-1-yl]pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-propan-2-ylbenzimidazol-1-yl)pyrimidine-2,4-diamine;6-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine

6-(5-chloro-2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(6-chloro-2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)phenyl]pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-[2-(difluoromethyl)benzimidazol-1-yl]pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-propan-2-ylbenzimidazol-1-yl)pyrimidine-2,4-diamine;6-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine (PubChem CID 158341103) has the molecular formula C123H101Cl2F17N36O3 and a molecular weight of 2525.28 g/mol. Its IUPAC name is 6-(5-chloro-2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(6-chloro-2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)phenyl]pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-[2-(difluoromethyl)benzimidazol-1-yl]pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-propan-2-ylbenzimidazol-1-yl)pyrimidine-2,4-diamine;6-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 6-(5-chloro-2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(6-chloro-2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)phenyl]pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-[2-(difluoromethyl)benzimidazol-1-yl]pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-propan-2-ylbenzimidazol-1-yl)pyrimidine-2,4-diamine;6-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
• PubChem CID: 158341103
• Molecular Formula: C123H101Cl2F17N36O3
• Molecular Weight: 2525.28 g/mol
• Exact Mass: 2522.80
• IUPAC Name: 6-(5-chloro-2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(6-chloro-2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)phenyl]pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-[2-(difluoromethyl)benzimidazol-1-yl]pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-propan-2-ylbenzimidazol-1-yl)pyrimidine-2,4-diamine;6-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
• SMILES: CC(C)c1nc2ccccc2n1-c1cc(N)nc(Nc2ccc(OC(F)F)cc2)n1.CCc1nn2ccccc2c1-c1cc(N)nc(Nc2ccc(C(F)(F)F)cc2)n1.Nc1cc(-n2c(C(F)F)nc3ccccc32)nc(Nc2ccc(OC(F)F)cc2)n1.Nc1cc(-n2c(C3CC3)nc3cc(Cl)ccc32)nc(Nc2ccc(C(F)(F)F)cc2)n1.Nc1cc(-n2c(C3CC3)nc3ccc(Cl)cc32)nc(Nc2ccc(C(F)(F)F)cc2)n1.Nc1cc(-n2c(C3CC3)nc3ccccc32)nc(Nc2ccc(OC(F)F)cc2)n1
• InChI: InChI=1S/2C21H16ClF3N6.C21H18F2N6O.C21H20F2N6O.C20H17F3N6.C19H14F4N6O/c22-13-5-8-16-15(9-13)28-19(11-1-2-11)31(16)18-10-17(26)29-20(30-18)27-14-6-3-12(4-7-14)21(23,24)25;22-13-5-8-15-16(9-13)31(19(28-15)11-1-2-11)18-10-17(26)29-20(30-18)27-14-6-3-12(4-7-14)21(23,24)25;22-20(23)30-14-9-7-13(8-10-14)25-21-27-17(24)11-18(28-21)29-16-4-2-1-3-15(16)26-19(29)12-5-6-12;1-12(2)19-26-15-5-3-4-6-16(15)29(19)18-11-17(24)27-21(28-18)25-13-7-9-14(10-8-13)30-20(22)23;1-2-14-18(16-5-3-4-10-29(16)28-14)15-11-17(24)27-19(26-15)25-13-8-6-12(7-9-13)20(21,22)23;20-16(21)17-26-12-3-1-2-4-13(12)29(17)15-9-14(24)27-19(28-15)25-10-5-7-11(8-6-10)30-18(22)23/h2*3-11H,1-2H2,(H3,26,27,29,30);1-4,7-12,20H,5-6H2,(H3,24,25,27,28);3-12,20H,1-2H3,(H3,24,25,27,28);3-11H,2H2,1H3,(H3,24,25,26,27);1-9,16,18H,(H3,24,25,27,28)
• InChIKey: GREBHIMNVQVEAS-UHFFFAOYSA-N
• XLogP: 30.25
• TPSA: 517.07 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 39
• Rotatable Bonds: 30
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2525.28
LogP ≤ 5	30.25
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(6-chloro-2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)phenyl]pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-[2-(difluoromethyl)benzimidazol-1-yl]pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-propan-2-ylbenzimidazol-1-yl)pyrimidine-2,4-diamine;6-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?

The IUPAC name of 6-(5-chloro-2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(6-chloro-2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)phenyl]pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-[2-(difluoromethyl)benzimidazol-1-yl]pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-propan-2-ylbenzimidazol-1-yl)pyrimidine-2,4-diamine;6-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine (CID 158341103) is 6-(5-chloro-2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(6-chloro-2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)phenyl]pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-[2-(difluoromethyl)benzimidazol-1-yl]pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-propan-2-ylbenzimidazol-1-yl)pyrimidine-2,4-diamine;6-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine.

What is the SMILES notation for 6-(5-chloro-2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(6-chloro-2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)phenyl]pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-[2-(difluoromethyl)benzimidazol-1-yl]pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-propan-2-ylbenzimidazol-1-yl)pyrimidine-2,4-diamine;6-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?

The canonical SMILES for 6-(5-chloro-2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(6-chloro-2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)phenyl]pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-[2-(difluoromethyl)benzimidazol-1-yl]pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-propan-2-ylbenzimidazol-1-yl)pyrimidine-2,4-diamine;6-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine is CC(C)c1nc2ccccc2n1-c1cc(N)nc(Nc2ccc(OC(F)F)cc2)n1.CCc1nn2ccccc2c1-c1cc(N)nc(Nc2ccc(C(F)(F)F)cc2)n1.Nc1cc(-n2c(C(F)F)nc3ccccc32)nc(Nc2ccc(OC(F)F)cc2)n1.Nc1cc(-n2c(C3CC3)nc3cc(Cl)ccc32)nc(Nc2ccc(C(F)(F)F)cc2)n1.Nc1cc(-n2c(C3CC3)nc3ccc(Cl)cc32)nc(Nc2ccc(C(F)(F)F)cc2)n1.Nc1cc(-n2c(C3CC3)nc3ccccc32)nc(Nc2ccc(OC(F)F)cc2)n1.

What is the InChIKey of 6-(5-chloro-2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(6-chloro-2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)phenyl]pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-[2-(difluoromethyl)benzimidazol-1-yl]pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-propan-2-ylbenzimidazol-1-yl)pyrimidine-2,4-diamine;6-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?

The InChIKey is GREBHIMNVQVEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H16ClF3N6.C21H18F2N6O.C21H20F2N6O.C20H17F3N6.C19H14F4N6O/c22-13-5-8-16-15(9-13)28-19(11-1-2-11)31(16)18-10-17(26)29-20(30-18)27-14-6-3-12(4-7-14)21(23,24)25;22-13-5-8-15-16(9-13)31(19(28-15)11-1-2-11)18-10-17(26)29-20(30-18)27-14-6-3-12(4-7-14)21(23,24)25;22-20(23)30-14-9-7-13(8-10-14)25-21-27-17(24)11-18(28-21)29-16-4-2-1-3-15(16)26-19(29)12-5-6-12;1-12(2)19-26-15-5-3-4-6-16(15)29(19)18-11-17(24)27-21(28-18)25-13-7-9-14(10-8-13)30-20(22)23;1-2-14-18(16-5-3-4-10-29(16)28-14)15-11-17(24)27-19(26-15)25-13-8-6-12(7-9-13)20(21,22)23;20-16(21)17-26-12-3-1-2-4-13(12)29(17)15-9-14(24)27-19(28-15)25-10-5-7-11(8-6-10)30-18(22)23/h2*3-11H,1-2H2,(H3,26,27,29,30);1-4,7-12,20H,5-6H2,(H3,24,25,27,28);3-12,20H,1-2H3,(H3,24,25,27,28);3-11H,2H2,1H3,(H3,24,25,26,27);1-9,16,18H,(H3,24,25,27,28).

What are the key properties of 6-(5-chloro-2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(6-chloro-2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)phenyl]pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-[2-(difluoromethyl)benzimidazol-1-yl]pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-propan-2-ylbenzimidazol-1-yl)pyrimidine-2,4-diamine;6-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?

6-(5-chloro-2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(6-chloro-2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)phenyl]pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-[2-(difluoromethyl)benzimidazol-1-yl]pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-propan-2-ylbenzimidazol-1-yl)pyrimidine-2,4-diamine;6-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine has a molecular weight of 2525.28 g/mol, XLogP of 30.25, 30 rotatable bonds, 12 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(5-chloro-2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(6-chloro-2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(2-cyclopropylbenzimidazol-1-yl)-2-N-[4-(difluoromethoxy)phenyl]pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-[2-(difluoromethyl)benzimidazol-1-yl]pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-propan-2-ylbenzimidazol-1-yl)pyrimidine-2,4-diamine;6-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 158341103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).