7-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine;7-N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine;7-N-[(4-fluorophenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine;7-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine;7-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine;5-methyl-7-N-[[4-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-2,4,7-triamine

C96H86ClF21N36 — CID 159010425

About 7-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine;7-N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine;7-N-[(4-fluorophenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine;7-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine;7-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine;5-methyl-7-N-[[4-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-2,4,7-triamine

7-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine;7-N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine;7-N-[(4-fluorophenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine;7-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine;7-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine;5-methyl-7-N-[[4-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-2,4,7-triamine (PubChem CID 159010425) has the molecular formula C96H86ClF21N36 and a molecular weight of 2178.41 g/mol. Its IUPAC name is 7-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine;7-N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine;7-N-[(4-fluorophenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine;7-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine;7-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine;5-methyl-7-N-[[4-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-2,4,7-triamine.

Molecular Properties

• Compound Name: 7-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine;7-N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine;7-N-[(4-fluorophenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine;7-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine;7-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine;5-methyl-7-N-[[4-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-2,4,7-triamine
• PubChem CID: 159010425
• Molecular Formula: C96H86ClF21N36
• Molecular Weight: 2178.41 g/mol
• Exact Mass: 2176.72
• IUPAC Name: 7-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine;7-N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine;7-N-[(4-fluorophenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine;7-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine;7-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine;5-methyl-7-N-[[4-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-2,4,7-triamine
• SMILES: Cc1cc(NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc2nc(N)nc(N)c12.Cc1cc(NCc2cc(F)cc(C(F)(F)F)c2)nc2nc(N)nc(N)c12.Cc1cc(NCc2ccc(C(F)(F)F)c(F)c2)nc2nc(N)nc(N)c12.Cc1cc(NCc2ccc(C(F)(F)F)cc2)nc2nc(N)nc(N)c12.Cc1cc(NCc2ccc(Cl)c(C(F)(F)F)c2)nc2nc(N)nc(N)c12.Cc1cc(NCc2ccc(F)cc2)nc2nc(N)nc(N)c12
• InChI: InChI=1S/C17H14F6N6.C16H14ClF3N6.2C16H14F4N6.C16H15F3N6.C15H15FN6/c1-7-2-11(27-14-12(7)13(24)28-15(25)29-14)26-6-8-3-9(16(18,19)20)5-10(4-8)17(21,22)23;1-7-4-11(24-14-12(7)13(21)25-15(22)26-14)23-6-8-2-3-10(17)9(5-8)16(18,19)20;1-7-2-11(24-14-12(7)13(21)25-15(22)26-14)23-6-8-3-9(16(18,19)20)5-10(17)4-8;1-7-4-11(24-14-12(7)13(21)25-15(22)26-14)23-6-8-2-3-9(10(17)5-8)16(18,19)20;1-8-6-11(23-14-12(8)13(20)24-15(21)25-14)22-7-9-2-4-10(5-3-9)16(17,18)19;1-8-6-11(19-7-9-2-4-10(16)5-3-9)20-14-12(8)13(17)21-15(18)22-14/h2-5H,6H2,1H3,(H5,24,25,26,27,28,29);3*2-5H,6H2,1H3,(H5,21,22,23,24,25,26);2-6H,7H2,1H3,(H5,20,21,22,23,24,25);2-6H,7H2,1H3,(H5,17,18,19,20,21,22)
• InChIKey: JSKNMDKXORQLSL-UHFFFAOYSA-N
• XLogP: 19.84
• TPSA: 616.44 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 36
• Rotatable Bonds: 18
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2178.41
LogP ≤ 5	19.84
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of 7-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine;7-N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine;7-N-[(4-fluorophenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine;7-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine;7-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine;5-methyl-7-N-[[4-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-2,4,7-triamine?

The IUPAC name of 7-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine;7-N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine;7-N-[(4-fluorophenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine;7-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine;7-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine;5-methyl-7-N-[[4-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-2,4,7-triamine (CID 159010425) is 7-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine;7-N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine;7-N-[(4-fluorophenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine;7-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine;7-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine;5-methyl-7-N-[[4-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-2,4,7-triamine.

What is the SMILES notation for 7-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine;7-N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine;7-N-[(4-fluorophenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine;7-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine;7-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine;5-methyl-7-N-[[4-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-2,4,7-triamine?

The canonical SMILES for 7-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine;7-N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine;7-N-[(4-fluorophenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine;7-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine;7-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine;5-methyl-7-N-[[4-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-2,4,7-triamine is Cc1cc(NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc2nc(N)nc(N)c12.Cc1cc(NCc2cc(F)cc(C(F)(F)F)c2)nc2nc(N)nc(N)c12.Cc1cc(NCc2ccc(C(F)(F)F)c(F)c2)nc2nc(N)nc(N)c12.Cc1cc(NCc2ccc(C(F)(F)F)cc2)nc2nc(N)nc(N)c12.Cc1cc(NCc2ccc(Cl)c(C(F)(F)F)c2)nc2nc(N)nc(N)c12.Cc1cc(NCc2ccc(F)cc2)nc2nc(N)nc(N)c12.

What is the InChIKey of 7-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine;7-N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine;7-N-[(4-fluorophenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine;7-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine;7-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine;5-methyl-7-N-[[4-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-2,4,7-triamine?

The InChIKey is JSKNMDKXORQLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F6N6.C16H14ClF3N6.2C16H14F4N6.C16H15F3N6.C15H15FN6/c1-7-2-11(27-14-12(7)13(24)28-15(25)29-14)26-6-8-3-9(16(18,19)20)5-10(4-8)17(21,22)23;1-7-4-11(24-14-12(7)13(21)25-15(22)26-14)23-6-8-2-3-10(17)9(5-8)16(18,19)20;1-7-2-11(24-14-12(7)13(21)25-15(22)26-14)23-6-8-3-9(16(18,19)20)5-10(17)4-8;1-7-4-11(24-14-12(7)13(21)25-15(22)26-14)23-6-8-2-3-9(10(17)5-8)16(18,19)20;1-8-6-11(23-14-12(8)13(20)24-15(21)25-14)22-7-9-2-4-10(5-3-9)16(17,18)19;1-8-6-11(19-7-9-2-4-10(16)5-3-9)20-14-12(8)13(17)21-15(18)22-14/h2-5H,6H2,1H3,(H5,24,25,26,27,28,29);3*2-5H,6H2,1H3,(H5,21,22,23,24,25,26);2-6H,7H2,1H3,(H5,20,21,22,23,24,25);2-6H,7H2,1H3,(H5,17,18,19,20,21,22).

What are the key properties of 7-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine;7-N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine;7-N-[(4-fluorophenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine;7-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine;7-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine;5-methyl-7-N-[[4-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-2,4,7-triamine?

7-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine;7-N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine;7-N-[(4-fluorophenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine;7-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine;7-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine;5-methyl-7-N-[[4-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-2,4,7-triamine has a molecular weight of 2178.41 g/mol, XLogP of 19.84, 18 rotatable bonds, 18 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 7-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine;7-N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine;7-N-[(4-fluorophenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine;7-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine;7-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4,7-triamine;5-methyl-7-N-[[4-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-2,4,7-triamine is sourced from PubChem (CID 159010425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).