[3-[4-amino-6-[4-(trifluoromethyl)anilino]pyrimidin-2-yl]-6-fluoroimidazo[1,2-a]pyridin-2-yl]methanol;2-(6-bromo-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(4,6-difluoro-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2,6-dimethylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(6-ethyl-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine

C98H77BrF18N30O — CID 160600383

About [3-[4-amino-6-[4-(trifluoromethyl)anilino]pyrimidin-2-yl]-6-fluoroimidazo[1,2-a]pyridin-2-yl]methanol;2-(6-bromo-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(4,6-difluoro-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2,6-dimethylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(6-ethyl-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine

[3-[4-amino-6-[4-(trifluoromethyl)anilino]pyrimidin-2-yl]-6-fluoroimidazo[1,2-a]pyridin-2-yl]methanol;2-(6-bromo-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(4,6-difluoro-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2,6-dimethylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(6-ethyl-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine (PubChem CID 160600383) has the molecular formula C98H77BrF18N30O and a molecular weight of 2112.77 g/mol. Its IUPAC name is [3-[4-amino-6-[4-(trifluoromethyl)anilino]pyrimidin-2-yl]-6-fluoroimidazo[1,2-a]pyridin-2-yl]methanol;2-(6-bromo-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(4,6-difluoro-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2,6-dimethylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(6-ethyl-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine.

Molecular Properties

• Compound Name: [3-[4-amino-6-[4-(trifluoromethyl)anilino]pyrimidin-2-yl]-6-fluoroimidazo[1,2-a]pyridin-2-yl]methanol;2-(6-bromo-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(4,6-difluoro-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2,6-dimethylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(6-ethyl-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
• PubChem CID: 160600383
• Molecular Formula: C98H77BrF18N30O
• Molecular Weight: 2112.77 g/mol
• Exact Mass: 2110.58
• IUPAC Name: [3-[4-amino-6-[4-(trifluoromethyl)anilino]pyrimidin-2-yl]-6-fluoroimidazo[1,2-a]pyridin-2-yl]methanol;2-(6-bromo-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(4,6-difluoro-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2,6-dimethylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(6-ethyl-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
• SMILES: CCc1ccc2nc(C)n(-c3nc(N)cc(Nc4ccc(C(F)(F)F)cc4)n3)c2c1.Cc1ccc2nc(C)n(-c3nc(N)cc(Nc4ccc(C(F)(F)F)cc4)n3)c2c1.Cc1nc2c(F)cc(F)cc2n1-c1nc(N)cc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ccc(Br)cc2n1-c1nc(N)cc(Nc2ccc(C(F)(F)F)cc2)n1.Nc1cc(Nc2ccc(C(F)(F)F)cc2)nc(-c2c(CO)nc3ccc(F)cn23)n1
• InChI: InChI=1S/C21H19F3N6.C20H17F3N6.C19H14BrF3N6.C19H13F5N6.C19H14F4N6O/c1-3-13-4-9-16-17(10-13)30(12(2)26-16)20-28-18(25)11-19(29-20)27-15-7-5-14(6-8-15)21(22,23)24;1-11-3-8-15-16(9-11)29(12(2)25-15)19-27-17(24)10-18(28-19)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)18-27-16(24)9-17(28-18)26-13-5-2-11(3-6-13)19(21,22)23;1-9-26-17-13(21)6-11(20)7-14(17)30(9)18-28-15(25)8-16(29-18)27-12-4-2-10(3-5-12)19(22,23)24;20-11-3-6-16-26-13(9-30)17(29(16)8-11)18-27-14(24)7-15(28-18)25-12-4-1-10(2-5-12)19(21,22)23/h4-11H,3H2,1-2H3,(H3,25,27,28,29);3-10H,1-2H3,(H3,24,26,27,28);2-9H,1H3,(H3,24,26,27,28);2-8H,1H3,(H3,25,27,28,29);1-8,30H,9H2,(H3,24,25,27,28)
• InChIKey: REEPMCWPXUYZRW-UHFFFAOYSA-N
• XLogP: 23.55
• TPSA: 427.96 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 31
• Rotatable Bonds: 17
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2112.77
LogP ≤ 5	23.55
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of [3-[4-amino-6-[4-(trifluoromethyl)anilino]pyrimidin-2-yl]-6-fluoroimidazo[1,2-a]pyridin-2-yl]methanol;2-(6-bromo-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(4,6-difluoro-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2,6-dimethylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(6-ethyl-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine?

The IUPAC name of [3-[4-amino-6-[4-(trifluoromethyl)anilino]pyrimidin-2-yl]-6-fluoroimidazo[1,2-a]pyridin-2-yl]methanol;2-(6-bromo-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(4,6-difluoro-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2,6-dimethylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(6-ethyl-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine (CID 160600383) is [3-[4-amino-6-[4-(trifluoromethyl)anilino]pyrimidin-2-yl]-6-fluoroimidazo[1,2-a]pyridin-2-yl]methanol;2-(6-bromo-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(4,6-difluoro-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2,6-dimethylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(6-ethyl-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine.

What is the SMILES notation for [3-[4-amino-6-[4-(trifluoromethyl)anilino]pyrimidin-2-yl]-6-fluoroimidazo[1,2-a]pyridin-2-yl]methanol;2-(6-bromo-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(4,6-difluoro-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2,6-dimethylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(6-ethyl-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine?

The canonical SMILES for [3-[4-amino-6-[4-(trifluoromethyl)anilino]pyrimidin-2-yl]-6-fluoroimidazo[1,2-a]pyridin-2-yl]methanol;2-(6-bromo-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(4,6-difluoro-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2,6-dimethylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(6-ethyl-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine is CCc1ccc2nc(C)n(-c3nc(N)cc(Nc4ccc(C(F)(F)F)cc4)n3)c2c1.Cc1ccc2nc(C)n(-c3nc(N)cc(Nc4ccc(C(F)(F)F)cc4)n3)c2c1.Cc1nc2c(F)cc(F)cc2n1-c1nc(N)cc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ccc(Br)cc2n1-c1nc(N)cc(Nc2ccc(C(F)(F)F)cc2)n1.Nc1cc(Nc2ccc(C(F)(F)F)cc2)nc(-c2c(CO)nc3ccc(F)cn23)n1.

What is the InChIKey of [3-[4-amino-6-[4-(trifluoromethyl)anilino]pyrimidin-2-yl]-6-fluoroimidazo[1,2-a]pyridin-2-yl]methanol;2-(6-bromo-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(4,6-difluoro-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2,6-dimethylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(6-ethyl-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine?

The InChIKey is REEPMCWPXUYZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N6.C20H17F3N6.C19H14BrF3N6.C19H13F5N6.C19H14F4N6O/c1-3-13-4-9-16-17(10-13)30(12(2)26-16)20-28-18(25)11-19(29-20)27-15-7-5-14(6-8-15)21(22,23)24;1-11-3-8-15-16(9-11)29(12(2)25-15)19-27-17(24)10-18(28-19)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)18-27-16(24)9-17(28-18)26-13-5-2-11(3-6-13)19(21,22)23;1-9-26-17-13(21)6-11(20)7-14(17)30(9)18-28-15(25)8-16(29-18)27-12-4-2-10(3-5-12)19(22,23)24;20-11-3-6-16-26-13(9-30)17(29(16)8-11)18-27-14(24)7-15(28-18)25-12-4-1-10(2-5-12)19(21,22)23/h4-11H,3H2,1-2H3,(H3,25,27,28,29);3-10H,1-2H3,(H3,24,26,27,28);2-9H,1H3,(H3,24,26,27,28);2-8H,1H3,(H3,25,27,28,29);1-8,30H,9H2,(H3,24,25,27,28).

What are the key properties of [3-[4-amino-6-[4-(trifluoromethyl)anilino]pyrimidin-2-yl]-6-fluoroimidazo[1,2-a]pyridin-2-yl]methanol;2-(6-bromo-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(4,6-difluoro-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2,6-dimethylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(6-ethyl-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine?

[3-[4-amino-6-[4-(trifluoromethyl)anilino]pyrimidin-2-yl]-6-fluoroimidazo[1,2-a]pyridin-2-yl]methanol;2-(6-bromo-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(4,6-difluoro-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2,6-dimethylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(6-ethyl-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine has a molecular weight of 2112.77 g/mol, XLogP of 23.55, 17 rotatable bonds, 11 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[4-amino-6-[4-(trifluoromethyl)anilino]pyrimidin-2-yl]-6-fluoroimidazo[1,2-a]pyridin-2-yl]methanol;2-(6-bromo-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(4,6-difluoro-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2,6-dimethylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(6-ethyl-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 160600383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).