6-(5-amino-2-methylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;3-[6-amino-2-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]-2,5,6-trimethylpyrazolo[1,5-c]pyrimidin-7-one;6-(2-cyclopropylbenzimidazol-1-yl)-3-hydroxy-2-N-[4-(trifluoromethyl)phenyl]pyrimidin-3-ium-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-3-hydroxypyrimidin-3-ium-2,4-diamine;6-(2-ethylbenzimidazol-1-yl)-3-hydroxy-2-N-[4-(trifluoromethyl)phenyl]pyrimidin-3-ium-2,4-diamine;6-(2-ethyl-6-fluorobenzimidazol-1-yl)-3-hydroxy-2-N-[4-(trifluoromethyl)phenyl]pyrimidin-3-ium-2,4-diamine

C119H102F20N38O6+4 — CID 159390393

About 6-(5-amino-2-methylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;3-[6-amino-2-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]-2,5,6-trimethylpyrazolo[1,5-c]pyrimidin-7-one;6-(2-cyclopropylbenzimidazol-1-yl)-3-hydroxy-2-N-[4-(trifluoromethyl)phenyl]pyrimidin-3-ium-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-3-hydroxypyrimidin-3-ium-2,4-diamine;6-(2-ethylbenzimidazol-1-yl)-3-hydroxy-2-N-[4-(trifluoromethyl)phenyl]pyrimidin-3-ium-2,4-diamine;6-(2-ethyl-6-fluorobenzimidazol-1-yl)-3-hydroxy-2-N-[4-(trifluoromethyl)phenyl]pyrimidin-3-ium-2,4-diamine

6-(5-amino-2-methylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;3-[6-amino-2-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]-2,5,6-trimethylpyrazolo[1,5-c]pyrimidin-7-one;6-(2-cyclopropylbenzimidazol-1-yl)-3-hydroxy-2-N-[4-(trifluoromethyl)phenyl]pyrimidin-3-ium-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-3-hydroxypyrimidin-3-ium-2,4-diamine;6-(2-ethylbenzimidazol-1-yl)-3-hydroxy-2-N-[4-(trifluoromethyl)phenyl]pyrimidin-3-ium-2,4-diamine;6-(2-ethyl-6-fluorobenzimidazol-1-yl)-3-hydroxy-2-N-[4-(trifluoromethyl)phenyl]pyrimidin-3-ium-2,4-diamine (PubChem CID 159390393) has the molecular formula C119H102F20N38O6+4 and a molecular weight of 2540.34 g/mol. Its IUPAC name is 6-(5-amino-2-methylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;3-[6-amino-2-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]-2,5,6-trimethylpyrazolo[1,5-c]pyrimidin-7-one;6-(2-cyclopropylbenzimidazol-1-yl)-3-hydroxy-2-N-[4-(trifluoromethyl)phenyl]pyrimidin-3-ium-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-3-hydroxypyrimidin-3-ium-2,4-diamine;6-(2-ethylbenzimidazol-1-yl)-3-hydroxy-2-N-[4-(trifluoromethyl)phenyl]pyrimidin-3-ium-2,4-diamine;6-(2-ethyl-6-fluorobenzimidazol-1-yl)-3-hydroxy-2-N-[4-(trifluoromethyl)phenyl]pyrimidin-3-ium-2,4-diamine.

Molecular Properties

• Compound Name: 6-(5-amino-2-methylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;3-[6-amino-2-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]-2,5,6-trimethylpyrazolo[1,5-c]pyrimidin-7-one;6-(2-cyclopropylbenzimidazol-1-yl)-3-hydroxy-2-N-[4-(trifluoromethyl)phenyl]pyrimidin-3-ium-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-3-hydroxypyrimidin-3-ium-2,4-diamine;6-(2-ethylbenzimidazol-1-yl)-3-hydroxy-2-N-[4-(trifluoromethyl)phenyl]pyrimidin-3-ium-2,4-diamine;6-(2-ethyl-6-fluorobenzimidazol-1-yl)-3-hydroxy-2-N-[4-(trifluoromethyl)phenyl]pyrimidin-3-ium-2,4-diamine
• PubChem CID: 159390393
• Molecular Formula: C119H102F20N38O6+4
• Molecular Weight: 2540.34 g/mol
• Exact Mass: 2538.85
• IUPAC Name: 6-(5-amino-2-methylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;3-[6-amino-2-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]-2,5,6-trimethylpyrazolo[1,5-c]pyrimidin-7-one;6-(2-cyclopropylbenzimidazol-1-yl)-3-hydroxy-2-N-[4-(trifluoromethyl)phenyl]pyrimidin-3-ium-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-3-hydroxypyrimidin-3-ium-2,4-diamine;6-(2-ethylbenzimidazol-1-yl)-3-hydroxy-2-N-[4-(trifluoromethyl)phenyl]pyrimidin-3-ium-2,4-diamine;6-(2-ethyl-6-fluorobenzimidazol-1-yl)-3-hydroxy-2-N-[4-(trifluoromethyl)phenyl]pyrimidin-3-ium-2,4-diamine
• SMILES: CCc1nc2ccc(F)cc2n1-c1cc(N)[n+](O)c(Nc2ccc(C(F)(F)F)cc2)n1.CCc1nc2ccccc2n1-c1cc(N)[n+](O)c(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2cc(F)c(F)cc2n1-c1cc(N)[n+](O)c(Nc2ccc(OC(F)F)cc2)n1.Cc1nn2c(=O)n(C)c(C)cc2c1-c1cc(N)nc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nn2ccc(N)cc2c1-c1cc(N)nc(Nc2ccc(C(F)(F)F)cc2)n1.Nc1cc(-n2c(C3CC3)nc3ccccc32)nc(Nc2ccc(C(F)(F)F)cc2)[n+]1O
• InChI: InChI=1S/C21H17F3N6O.C20H16F4N6O.C20H18F3N7O.C20H17F3N6O.C19H14F4N6O2.C19H16F3N7/c22-21(23,24)13-7-9-14(10-8-13)26-20-28-18(11-17(25)30(20)31)29-16-4-2-1-3-15(16)27-19(29)12-5-6-12;1-2-17-27-14-8-5-12(21)9-15(14)29(17)18-10-16(25)30(31)19(28-18)26-13-6-3-11(4-7-13)20(22,23)24;1-10-8-15-17(11(2)28-30(15)19(31)29(10)3)14-9-16(24)27-18(26-14)25-13-6-4-12(5-7-13)20(21,22)23;1-2-17-26-14-5-3-4-6-15(14)28(17)18-11-16(24)29(30)19(27-18)25-13-9-7-12(8-10-13)20(21,22)23;1-9-25-14-6-12(20)13(21)7-15(14)28(9)17-8-16(24)29(30)19(27-17)26-10-2-4-11(5-3-10)31-18(22)23;1-10-17(15-8-12(23)6-7-29(15)28-10)14-9-16(24)27-18(26-14)25-13-4-2-11(3-5-13)19(20,21)22/h1-4,7-12,31H,5-6H2,(H2,25,26,28);3-10,31H,2H2,1H3,(H2,25,26,28);4-9H,1-3H3,(H3,24,25,26,27);3-11,30H,2H2,1H3,(H2,24,25,27);2-8,18,30H,1H3,(H2,24,26,27);2-9H,23H2,1H3,(H3,24,25,26,27)/p+4
• InChIKey: LMAOSIAWLWYJQP-UHFFFAOYSA-R
• XLogP: 22.95
• TPSA: 590.99 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 40
• Rotatable Bonds: 23
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2540.34
LogP ≤ 5	22.95
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(5-amino-2-methylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;3-[6-amino-2-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]-2,5,6-trimethylpyrazolo[1,5-c]pyrimidin-7-one;6-(2-cyclopropylbenzimidazol-1-yl)-3-hydroxy-2-N-[4-(trifluoromethyl)phenyl]pyrimidin-3-ium-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-3-hydroxypyrimidin-3-ium-2,4-diamine;6-(2-ethylbenzimidazol-1-yl)-3-hydroxy-2-N-[4-(trifluoromethyl)phenyl]pyrimidin-3-ium-2,4-diamine;6-(2-ethyl-6-fluorobenzimidazol-1-yl)-3-hydroxy-2-N-[4-(trifluoromethyl)phenyl]pyrimidin-3-ium-2,4-diamine?

The IUPAC name of 6-(5-amino-2-methylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;3-[6-amino-2-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]-2,5,6-trimethylpyrazolo[1,5-c]pyrimidin-7-one;6-(2-cyclopropylbenzimidazol-1-yl)-3-hydroxy-2-N-[4-(trifluoromethyl)phenyl]pyrimidin-3-ium-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-3-hydroxypyrimidin-3-ium-2,4-diamine;6-(2-ethylbenzimidazol-1-yl)-3-hydroxy-2-N-[4-(trifluoromethyl)phenyl]pyrimidin-3-ium-2,4-diamine;6-(2-ethyl-6-fluorobenzimidazol-1-yl)-3-hydroxy-2-N-[4-(trifluoromethyl)phenyl]pyrimidin-3-ium-2,4-diamine (CID 159390393) is 6-(5-amino-2-methylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;3-[6-amino-2-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]-2,5,6-trimethylpyrazolo[1,5-c]pyrimidin-7-one;6-(2-cyclopropylbenzimidazol-1-yl)-3-hydroxy-2-N-[4-(trifluoromethyl)phenyl]pyrimidin-3-ium-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-3-hydroxypyrimidin-3-ium-2,4-diamine;6-(2-ethylbenzimidazol-1-yl)-3-hydroxy-2-N-[4-(trifluoromethyl)phenyl]pyrimidin-3-ium-2,4-diamine;6-(2-ethyl-6-fluorobenzimidazol-1-yl)-3-hydroxy-2-N-[4-(trifluoromethyl)phenyl]pyrimidin-3-ium-2,4-diamine.

What is the SMILES notation for 6-(5-amino-2-methylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;3-[6-amino-2-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]-2,5,6-trimethylpyrazolo[1,5-c]pyrimidin-7-one;6-(2-cyclopropylbenzimidazol-1-yl)-3-hydroxy-2-N-[4-(trifluoromethyl)phenyl]pyrimidin-3-ium-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-3-hydroxypyrimidin-3-ium-2,4-diamine;6-(2-ethylbenzimidazol-1-yl)-3-hydroxy-2-N-[4-(trifluoromethyl)phenyl]pyrimidin-3-ium-2,4-diamine;6-(2-ethyl-6-fluorobenzimidazol-1-yl)-3-hydroxy-2-N-[4-(trifluoromethyl)phenyl]pyrimidin-3-ium-2,4-diamine?

The canonical SMILES for 6-(5-amino-2-methylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;3-[6-amino-2-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]-2,5,6-trimethylpyrazolo[1,5-c]pyrimidin-7-one;6-(2-cyclopropylbenzimidazol-1-yl)-3-hydroxy-2-N-[4-(trifluoromethyl)phenyl]pyrimidin-3-ium-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-3-hydroxypyrimidin-3-ium-2,4-diamine;6-(2-ethylbenzimidazol-1-yl)-3-hydroxy-2-N-[4-(trifluoromethyl)phenyl]pyrimidin-3-ium-2,4-diamine;6-(2-ethyl-6-fluorobenzimidazol-1-yl)-3-hydroxy-2-N-[4-(trifluoromethyl)phenyl]pyrimidin-3-ium-2,4-diamine is CCc1nc2ccc(F)cc2n1-c1cc(N)[n+](O)c(Nc2ccc(C(F)(F)F)cc2)n1.CCc1nc2ccccc2n1-c1cc(N)[n+](O)c(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2cc(F)c(F)cc2n1-c1cc(N)[n+](O)c(Nc2ccc(OC(F)F)cc2)n1.Cc1nn2c(=O)n(C)c(C)cc2c1-c1cc(N)nc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nn2ccc(N)cc2c1-c1cc(N)nc(Nc2ccc(C(F)(F)F)cc2)n1.Nc1cc(-n2c(C3CC3)nc3ccccc32)nc(Nc2ccc(C(F)(F)F)cc2)[n+]1O.

What is the InChIKey of 6-(5-amino-2-methylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;3-[6-amino-2-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]-2,5,6-trimethylpyrazolo[1,5-c]pyrimidin-7-one;6-(2-cyclopropylbenzimidazol-1-yl)-3-hydroxy-2-N-[4-(trifluoromethyl)phenyl]pyrimidin-3-ium-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-3-hydroxypyrimidin-3-ium-2,4-diamine;6-(2-ethylbenzimidazol-1-yl)-3-hydroxy-2-N-[4-(trifluoromethyl)phenyl]pyrimidin-3-ium-2,4-diamine;6-(2-ethyl-6-fluorobenzimidazol-1-yl)-3-hydroxy-2-N-[4-(trifluoromethyl)phenyl]pyrimidin-3-ium-2,4-diamine?

The InChIKey is LMAOSIAWLWYJQP-UHFFFAOYSA-R. The full InChI is InChI=1S/C21H17F3N6O.C20H16F4N6O.C20H18F3N7O.C20H17F3N6O.C19H14F4N6O2.C19H16F3N7/c22-21(23,24)13-7-9-14(10-8-13)26-20-28-18(11-17(25)30(20)31)29-16-4-2-1-3-15(16)27-19(29)12-5-6-12;1-2-17-27-14-8-5-12(21)9-15(14)29(17)18-10-16(25)30(31)19(28-18)26-13-6-3-11(4-7-13)20(22,23)24;1-10-8-15-17(11(2)28-30(15)19(31)29(10)3)14-9-16(24)27-18(26-14)25-13-6-4-12(5-7-13)20(21,22)23;1-2-17-26-14-5-3-4-6-15(14)28(17)18-11-16(24)29(30)19(27-18)25-13-9-7-12(8-10-13)20(21,22)23;1-9-25-14-6-12(20)13(21)7-15(14)28(9)17-8-16(24)29(30)19(27-17)26-10-2-4-11(5-3-10)31-18(22)23;1-10-17(15-8-12(23)6-7-29(15)28-10)14-9-16(24)27-18(26-14)25-13-4-2-11(3-5-13)19(20,21)22/h1-4,7-12,31H,5-6H2,(H2,25,26,28);3-10,31H,2H2,1H3,(H2,25,26,28);4-9H,1-3H3,(H3,24,25,26,27);3-11,30H,2H2,1H3,(H2,24,25,27);2-8,18,30H,1H3,(H2,24,26,27);2-9H,23H2,1H3,(H3,24,25,26,27)/p+4.

What are the key properties of 6-(5-amino-2-methylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;3-[6-amino-2-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]-2,5,6-trimethylpyrazolo[1,5-c]pyrimidin-7-one;6-(2-cyclopropylbenzimidazol-1-yl)-3-hydroxy-2-N-[4-(trifluoromethyl)phenyl]pyrimidin-3-ium-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-3-hydroxypyrimidin-3-ium-2,4-diamine;6-(2-ethylbenzimidazol-1-yl)-3-hydroxy-2-N-[4-(trifluoromethyl)phenyl]pyrimidin-3-ium-2,4-diamine;6-(2-ethyl-6-fluorobenzimidazol-1-yl)-3-hydroxy-2-N-[4-(trifluoromethyl)phenyl]pyrimidin-3-ium-2,4-diamine?

6-(5-amino-2-methylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;3-[6-amino-2-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]-2,5,6-trimethylpyrazolo[1,5-c]pyrimidin-7-one;6-(2-cyclopropylbenzimidazol-1-yl)-3-hydroxy-2-N-[4-(trifluoromethyl)phenyl]pyrimidin-3-ium-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-3-hydroxypyrimidin-3-ium-2,4-diamine;6-(2-ethylbenzimidazol-1-yl)-3-hydroxy-2-N-[4-(trifluoromethyl)phenyl]pyrimidin-3-ium-2,4-diamine;6-(2-ethyl-6-fluorobenzimidazol-1-yl)-3-hydroxy-2-N-[4-(trifluoromethyl)phenyl]pyrimidin-3-ium-2,4-diamine has a molecular weight of 2540.34 g/mol, XLogP of 22.95, 23 rotatable bonds, 17 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(5-amino-2-methylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;3-[6-amino-2-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]-2,5,6-trimethylpyrazolo[1,5-c]pyrimidin-7-one;6-(2-cyclopropylbenzimidazol-1-yl)-3-hydroxy-2-N-[4-(trifluoromethyl)phenyl]pyrimidin-3-ium-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-3-hydroxypyrimidin-3-ium-2,4-diamine;6-(2-ethylbenzimidazol-1-yl)-3-hydroxy-2-N-[4-(trifluoromethyl)phenyl]pyrimidin-3-ium-2,4-diamine;6-(2-ethyl-6-fluorobenzimidazol-1-yl)-3-hydroxy-2-N-[4-(trifluoromethyl)phenyl]pyrimidin-3-ium-2,4-diamine is sourced from PubChem (CID 159390393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).