2-(2-cyclopropyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(difluoromethoxy)phenyl]-5-fluoropyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-2-(2-ethylbenzimidazol-1-yl)pyrimidine-4,6-diamine;2-[2-(difluoromethyl)benzimidazol-1-yl]-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-ethylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine

C98H78F17N31O2 — CID 160695334

About 2-(2-cyclopropyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(difluoromethoxy)phenyl]-5-fluoropyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-2-(2-ethylbenzimidazol-1-yl)pyrimidine-4,6-diamine;2-[2-(difluoromethyl)benzimidazol-1-yl]-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-ethylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine

2-(2-cyclopropyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(difluoromethoxy)phenyl]-5-fluoropyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-2-(2-ethylbenzimidazol-1-yl)pyrimidine-4,6-diamine;2-[2-(difluoromethyl)benzimidazol-1-yl]-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-ethylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine (PubChem CID 160695334) has the molecular formula C98H78F17N31O2 and a molecular weight of 2044.88 g/mol. Its IUPAC name is 2-(2-cyclopropyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(difluoromethoxy)phenyl]-5-fluoropyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-2-(2-ethylbenzimidazol-1-yl)pyrimidine-4,6-diamine;2-[2-(difluoromethyl)benzimidazol-1-yl]-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-ethylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine.

Molecular Properties

• Compound Name: 2-(2-cyclopropyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(difluoromethoxy)phenyl]-5-fluoropyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-2-(2-ethylbenzimidazol-1-yl)pyrimidine-4,6-diamine;2-[2-(difluoromethyl)benzimidazol-1-yl]-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-ethylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
• PubChem CID: 160695334
• Molecular Formula: C98H78F17N31O2
• Molecular Weight: 2044.88 g/mol
• Exact Mass: 2043.67
• IUPAC Name: 2-(2-cyclopropyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(difluoromethoxy)phenyl]-5-fluoropyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-2-(2-ethylbenzimidazol-1-yl)pyrimidine-4,6-diamine;2-[2-(difluoromethyl)benzimidazol-1-yl]-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-ethylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
• SMILES: CCc1nc2ccccc2n1-c1nc(N)cc(Nc2ccc(C(F)(F)F)cc2)n1.CCc1nc2ccccc2n1-c1nc(N)cc(Nc2ccc(OC(F)F)cc2)n1.Cc1nn2ccccc2c1-c1nc(N)cc(Nc2ccc(C(F)(F)F)cc2)n1.Nc1cc(Nc2ccc(C(F)(F)F)cc2)nc(-n2c(C(F)F)nc3ccccc32)n1.Nc1nc(-n2c(C3CC3)nc3ncc(F)cc32)nc(Nc2ccc(OC(F)F)cc2)c1F
• InChI: InChI=1S/C20H15F4N7O.C20H17F3N6.C20H18F2N6O.C19H13F5N6.C19H15F3N6/c21-10-7-13-16(26-8-10)29-18(9-1-2-9)31(13)20-28-15(25)14(22)17(30-20)27-11-3-5-12(6-4-11)32-19(23)24;1-2-18-26-14-5-3-4-6-15(14)29(18)19-27-16(24)11-17(28-19)25-13-9-7-12(8-10-13)20(21,22)23;1-2-18-25-14-5-3-4-6-15(14)28(18)20-26-16(23)11-17(27-20)24-12-7-9-13(10-8-12)29-19(21)22;20-16(21)17-27-12-3-1-2-4-13(12)30(17)18-28-14(25)9-15(29-18)26-11-7-5-10(6-8-11)19(22,23)24;1-11-17(14-4-2-3-9-28(14)27-11)18-25-15(23)10-16(26-18)24-13-7-5-12(6-8-13)19(20,21)22/h3-9,19H,1-2H2,(H3,25,27,28,30);3-11H,2H2,1H3,(H3,24,25,27,28);3-11,19H,2H2,1H3,(H3,23,24,26,27);1-9,16H,(H3,25,26,28,29);2-10H,1H3,(H3,23,24,25,26)
• InChIKey: RPXQHFAVYQOOMD-UHFFFAOYSA-N
• XLogP: 22.86
• TPSA: 439.08 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 33
• Rotatable Bonds: 23
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2044.88
LogP ≤ 5	22.86
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(difluoromethoxy)phenyl]-5-fluoropyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-2-(2-ethylbenzimidazol-1-yl)pyrimidine-4,6-diamine;2-[2-(difluoromethyl)benzimidazol-1-yl]-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-ethylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine?

The IUPAC name of 2-(2-cyclopropyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(difluoromethoxy)phenyl]-5-fluoropyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-2-(2-ethylbenzimidazol-1-yl)pyrimidine-4,6-diamine;2-[2-(difluoromethyl)benzimidazol-1-yl]-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-ethylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine (CID 160695334) is 2-(2-cyclopropyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(difluoromethoxy)phenyl]-5-fluoropyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-2-(2-ethylbenzimidazol-1-yl)pyrimidine-4,6-diamine;2-[2-(difluoromethyl)benzimidazol-1-yl]-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-ethylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine.

What is the SMILES notation for 2-(2-cyclopropyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(difluoromethoxy)phenyl]-5-fluoropyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-2-(2-ethylbenzimidazol-1-yl)pyrimidine-4,6-diamine;2-[2-(difluoromethyl)benzimidazol-1-yl]-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-ethylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine?

The canonical SMILES for 2-(2-cyclopropyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(difluoromethoxy)phenyl]-5-fluoropyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-2-(2-ethylbenzimidazol-1-yl)pyrimidine-4,6-diamine;2-[2-(difluoromethyl)benzimidazol-1-yl]-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-ethylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine is CCc1nc2ccccc2n1-c1nc(N)cc(Nc2ccc(C(F)(F)F)cc2)n1.CCc1nc2ccccc2n1-c1nc(N)cc(Nc2ccc(OC(F)F)cc2)n1.Cc1nn2ccccc2c1-c1nc(N)cc(Nc2ccc(C(F)(F)F)cc2)n1.Nc1cc(Nc2ccc(C(F)(F)F)cc2)nc(-n2c(C(F)F)nc3ccccc32)n1.Nc1nc(-n2c(C3CC3)nc3ncc(F)cc32)nc(Nc2ccc(OC(F)F)cc2)c1F.

What is the InChIKey of 2-(2-cyclopropyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(difluoromethoxy)phenyl]-5-fluoropyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-2-(2-ethylbenzimidazol-1-yl)pyrimidine-4,6-diamine;2-[2-(difluoromethyl)benzimidazol-1-yl]-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-ethylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine?

The InChIKey is RPXQHFAVYQOOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F4N7O.C20H17F3N6.C20H18F2N6O.C19H13F5N6.C19H15F3N6/c21-10-7-13-16(26-8-10)29-18(9-1-2-9)31(13)20-28-15(25)14(22)17(30-20)27-11-3-5-12(6-4-11)32-19(23)24;1-2-18-26-14-5-3-4-6-15(14)29(18)19-27-16(24)11-17(28-19)25-13-9-7-12(8-10-13)20(21,22)23;1-2-18-25-14-5-3-4-6-15(14)28(18)20-26-16(23)11-17(27-20)24-12-7-9-13(10-8-12)29-19(21)22;20-16(21)17-27-12-3-1-2-4-13(12)30(17)18-28-14(25)9-15(29-18)26-11-7-5-10(6-8-11)19(22,23)24;1-11-17(14-4-2-3-9-28(14)27-11)18-25-15(23)10-16(26-18)24-13-7-5-12(6-8-13)19(20,21)22/h3-9,19H,1-2H2,(H3,25,27,28,30);3-11H,2H2,1H3,(H3,24,25,27,28);3-11,19H,2H2,1H3,(H3,23,24,26,27);1-9,16H,(H3,25,26,28,29);2-10H,1H3,(H3,23,24,25,26).

What are the key properties of 2-(2-cyclopropyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(difluoromethoxy)phenyl]-5-fluoropyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-2-(2-ethylbenzimidazol-1-yl)pyrimidine-4,6-diamine;2-[2-(difluoromethyl)benzimidazol-1-yl]-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-ethylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine?

2-(2-cyclopropyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(difluoromethoxy)phenyl]-5-fluoropyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-2-(2-ethylbenzimidazol-1-yl)pyrimidine-4,6-diamine;2-[2-(difluoromethyl)benzimidazol-1-yl]-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-ethylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine has a molecular weight of 2044.88 g/mol, XLogP of 22.86, 23 rotatable bonds, 10 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-cyclopropyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(difluoromethoxy)phenyl]-5-fluoropyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-2-(2-ethylbenzimidazol-1-yl)pyrimidine-4,6-diamine;2-[2-(difluoromethyl)benzimidazol-1-yl]-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-ethylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 160695334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).