2-N-[4-(difluoromethoxy)phenyl]-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-ethyl-5,6-difluorobenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-[6-fluoro-2-(methoxymethyl)benzimidazol-1-yl]pyrimidine-2,4-diamine;3-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]benzamide;6-[2-(methoxymethyl)benzimidazol-1-yl]-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(2-propan-2-ylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine

C118H97F17N36O6 — CID 158977297

About 2-N-[4-(difluoromethoxy)phenyl]-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-ethyl-5,6-difluorobenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-[6-fluoro-2-(methoxymethyl)benzimidazol-1-yl]pyrimidine-2,4-diamine;3-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]benzamide;6-[2-(methoxymethyl)benzimidazol-1-yl]-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(2-propan-2-ylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine

2-N-[4-(difluoromethoxy)phenyl]-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-ethyl-5,6-difluorobenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-[6-fluoro-2-(methoxymethyl)benzimidazol-1-yl]pyrimidine-2,4-diamine;3-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]benzamide;6-[2-(methoxymethyl)benzimidazol-1-yl]-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(2-propan-2-ylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine (PubChem CID 158977297) has the molecular formula C118H97F17N36O6 and a molecular weight of 2438.29 g/mol. Its IUPAC name is 2-N-[4-(difluoromethoxy)phenyl]-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-ethyl-5,6-difluorobenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-[6-fluoro-2-(methoxymethyl)benzimidazol-1-yl]pyrimidine-2,4-diamine;3-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]benzamide;6-[2-(methoxymethyl)benzimidazol-1-yl]-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(2-propan-2-ylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 2-N-[4-(difluoromethoxy)phenyl]-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-ethyl-5,6-difluorobenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-[6-fluoro-2-(methoxymethyl)benzimidazol-1-yl]pyrimidine-2,4-diamine;3-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]benzamide;6-[2-(methoxymethyl)benzimidazol-1-yl]-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(2-propan-2-ylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
• PubChem CID: 158977297
• Molecular Formula: C118H97F17N36O6
• Molecular Weight: 2438.29 g/mol
• Exact Mass: 2436.81
• IUPAC Name: 2-N-[4-(difluoromethoxy)phenyl]-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-ethyl-5,6-difluorobenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-[6-fluoro-2-(methoxymethyl)benzimidazol-1-yl]pyrimidine-2,4-diamine;3-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]benzamide;6-[2-(methoxymethyl)benzimidazol-1-yl]-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(2-propan-2-ylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
• SMILES: CC(C)c1nc2ccccc2n1-c1cc(N)nc(Nc2ccc(C(F)(F)F)cc2)n1.CCc1nc2cc(F)c(F)cc2n1-c1cc(N)nc(Nc2ccc(OC(F)F)cc2)n1.COCc1nc2ccc(F)cc2n1-c1cc(N)nc(Nc2ccc(OC(F)F)cc2)n1.COCc1nc2ccccc2n1-c1cc(N)nc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2cc(F)c(F)cc2n1-c1cc(N)nc(Nc2ccc(OC(F)F)cc2)n1.NC(=O)c1cccc(Nc2nccc(-c3cnc4ccccn34)n2)c1
• InChI: InChI=1S/C21H19F3N6.C20H16F4N6O.C20H17F3N6O2.C20H17F3N6O.C19H14F4N6O.C18H14N6O/c1-12(2)19-27-15-5-3-4-6-16(15)30(19)18-11-17(25)28-20(29-18)26-14-9-7-13(8-10-14)21(22,23)24;1-2-17-27-14-7-12(21)13(22)8-15(14)30(17)18-9-16(25)28-20(29-18)26-10-3-5-11(6-4-10)31-19(23)24;1-30-10-18-26-14-7-2-11(21)8-15(14)29(18)17-9-16(24)27-20(28-17)25-12-3-5-13(6-4-12)31-19(22)23;1-30-11-18-26-14-4-2-3-5-15(14)29(18)17-10-16(24)27-19(28-17)25-13-8-6-12(7-9-13)20(21,22)23;1-9-25-14-6-12(20)13(21)7-15(14)29(9)17-8-16(24)27-19(28-17)26-10-2-4-11(5-3-10)30-18(22)23;19-17(25)12-4-3-5-13(10-12)22-18-20-8-7-14(23-18)15-11-21-16-6-1-2-9-24(15)16/h3-12H,1-2H3,(H3,25,26,28,29);3-9,19H,2H2,1H3,(H3,25,26,28,29);2-9,19H,10H2,1H3,(H3,24,25,27,28);2-10H,11H2,1H3,(H3,24,25,27,28);2-8,18H,1H3,(H3,24,26,27,28);1-11H,(H2,19,25)(H,20,22,23)
• InChIKey: JOOACWKKMYYPIE-UHFFFAOYSA-N
• XLogP: 25.16
• TPSA: 552.60 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 41
• Rotatable Bonds: 31
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2438.29
LogP ≤ 5	25.16
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	41

Frequently Asked Questions

What is the IUPAC name of 2-N-[4-(difluoromethoxy)phenyl]-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-ethyl-5,6-difluorobenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-[6-fluoro-2-(methoxymethyl)benzimidazol-1-yl]pyrimidine-2,4-diamine;3-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]benzamide;6-[2-(methoxymethyl)benzimidazol-1-yl]-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(2-propan-2-ylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?

The IUPAC name of 2-N-[4-(difluoromethoxy)phenyl]-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-ethyl-5,6-difluorobenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-[6-fluoro-2-(methoxymethyl)benzimidazol-1-yl]pyrimidine-2,4-diamine;3-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]benzamide;6-[2-(methoxymethyl)benzimidazol-1-yl]-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(2-propan-2-ylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine (CID 158977297) is 2-N-[4-(difluoromethoxy)phenyl]-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-ethyl-5,6-difluorobenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-[6-fluoro-2-(methoxymethyl)benzimidazol-1-yl]pyrimidine-2,4-diamine;3-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]benzamide;6-[2-(methoxymethyl)benzimidazol-1-yl]-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(2-propan-2-ylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine.

What is the SMILES notation for 2-N-[4-(difluoromethoxy)phenyl]-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-ethyl-5,6-difluorobenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-[6-fluoro-2-(methoxymethyl)benzimidazol-1-yl]pyrimidine-2,4-diamine;3-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]benzamide;6-[2-(methoxymethyl)benzimidazol-1-yl]-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(2-propan-2-ylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?

The canonical SMILES for 2-N-[4-(difluoromethoxy)phenyl]-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-ethyl-5,6-difluorobenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-[6-fluoro-2-(methoxymethyl)benzimidazol-1-yl]pyrimidine-2,4-diamine;3-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]benzamide;6-[2-(methoxymethyl)benzimidazol-1-yl]-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(2-propan-2-ylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine is CC(C)c1nc2ccccc2n1-c1cc(N)nc(Nc2ccc(C(F)(F)F)cc2)n1.CCc1nc2cc(F)c(F)cc2n1-c1cc(N)nc(Nc2ccc(OC(F)F)cc2)n1.COCc1nc2ccc(F)cc2n1-c1cc(N)nc(Nc2ccc(OC(F)F)cc2)n1.COCc1nc2ccccc2n1-c1cc(N)nc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2cc(F)c(F)cc2n1-c1cc(N)nc(Nc2ccc(OC(F)F)cc2)n1.NC(=O)c1cccc(Nc2nccc(-c3cnc4ccccn34)n2)c1.

What is the InChIKey of 2-N-[4-(difluoromethoxy)phenyl]-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-ethyl-5,6-difluorobenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-[6-fluoro-2-(methoxymethyl)benzimidazol-1-yl]pyrimidine-2,4-diamine;3-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]benzamide;6-[2-(methoxymethyl)benzimidazol-1-yl]-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(2-propan-2-ylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?

The InChIKey is JOOACWKKMYYPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N6.C20H16F4N6O.C20H17F3N6O2.C20H17F3N6O.C19H14F4N6O.C18H14N6O/c1-12(2)19-27-15-5-3-4-6-16(15)30(19)18-11-17(25)28-20(29-18)26-14-9-7-13(8-10-14)21(22,23)24;1-2-17-27-14-7-12(21)13(22)8-15(14)30(17)18-9-16(25)28-20(29-18)26-10-3-5-11(6-4-10)31-19(23)24;1-30-10-18-26-14-7-2-11(21)8-15(14)29(18)17-9-16(24)27-20(28-17)25-12-3-5-13(6-4-12)31-19(22)23;1-30-11-18-26-14-4-2-3-5-15(14)29(18)17-10-16(24)27-19(28-17)25-13-8-6-12(7-9-13)20(21,22)23;1-9-25-14-6-12(20)13(21)7-15(14)29(9)17-8-16(24)27-19(28-17)26-10-2-4-11(5-3-10)30-18(22)23;19-17(25)12-4-3-5-13(10-12)22-18-20-8-7-14(23-18)15-11-21-16-6-1-2-9-24(15)16/h3-12H,1-2H3,(H3,25,26,28,29);3-9,19H,2H2,1H3,(H3,25,26,28,29);2-9,19H,10H2,1H3,(H3,24,25,27,28);2-10H,11H2,1H3,(H3,24,25,27,28);2-8,18H,1H3,(H3,24,26,27,28);1-11H,(H2,19,25)(H,20,22,23).

What are the key properties of 2-N-[4-(difluoromethoxy)phenyl]-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-ethyl-5,6-difluorobenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-[6-fluoro-2-(methoxymethyl)benzimidazol-1-yl]pyrimidine-2,4-diamine;3-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]benzamide;6-[2-(methoxymethyl)benzimidazol-1-yl]-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(2-propan-2-ylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?

2-N-[4-(difluoromethoxy)phenyl]-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-ethyl-5,6-difluorobenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-[6-fluoro-2-(methoxymethyl)benzimidazol-1-yl]pyrimidine-2,4-diamine;3-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]benzamide;6-[2-(methoxymethyl)benzimidazol-1-yl]-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(2-propan-2-ylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine has a molecular weight of 2438.29 g/mol, XLogP of 25.16, 31 rotatable bonds, 12 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-[4-(difluoromethoxy)phenyl]-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-ethyl-5,6-difluorobenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-[6-fluoro-2-(methoxymethyl)benzimidazol-1-yl]pyrimidine-2,4-diamine;3-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]benzamide;6-[2-(methoxymethyl)benzimidazol-1-yl]-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(2-propan-2-ylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 158977297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).