6-(3-aminophenyl)-2-N-propan-2-yl-4-N-pyridin-4-yl-1,3,5-triazine-2,4-diamine;4-N-(5-chloro-3-pyridinyl)-2-N-cyclobutyl-6-pyridin-2-yl-1,3,5-triazine-2,4-diamine;6-(6-ethyl-2-pyridinyl)-4-N-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;4-N-(1-methylimidazol-4-yl)-6-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-phenyl-2-N-propan-2-yl-4-N-[5-(trifluoromethyl)-3-pyridinyl]-1,3,5-triazine-2,4-diamine;3-[4-(propan-2-ylamino)-6-(pyridin-4-ylamino)-1,3,5-triazin-2-yl]phenol

C104H111ClF3N39O — CID 158521915

About 6-(3-aminophenyl)-2-N-propan-2-yl-4-N-pyridin-4-yl-1,3,5-triazine-2,4-diamine;4-N-(5-chloro-3-pyridinyl)-2-N-cyclobutyl-6-pyridin-2-yl-1,3,5-triazine-2,4-diamine;6-(6-ethyl-2-pyridinyl)-4-N-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;4-N-(1-methylimidazol-4-yl)-6-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-phenyl-2-N-propan-2-yl-4-N-[5-(trifluoromethyl)-3-pyridinyl]-1,3,5-triazine-2,4-diamine;3-[4-(propan-2-ylamino)-6-(pyridin-4-ylamino)-1,3,5-triazin-2-yl]phenol

6-(3-aminophenyl)-2-N-propan-2-yl-4-N-pyridin-4-yl-1,3,5-triazine-2,4-diamine;4-N-(5-chloro-3-pyridinyl)-2-N-cyclobutyl-6-pyridin-2-yl-1,3,5-triazine-2,4-diamine;6-(6-ethyl-2-pyridinyl)-4-N-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;4-N-(1-methylimidazol-4-yl)-6-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-phenyl-2-N-propan-2-yl-4-N-[5-(trifluoromethyl)-3-pyridinyl]-1,3,5-triazine-2,4-diamine;3-[4-(propan-2-ylamino)-6-(pyridin-4-ylamino)-1,3,5-triazin-2-yl]phenol (PubChem CID 158521915) has the molecular formula C104H111ClF3N39O and a molecular weight of 2015.75 g/mol. Its IUPAC name is 6-(3-aminophenyl)-2-N-propan-2-yl-4-N-pyridin-4-yl-1,3,5-triazine-2,4-diamine;4-N-(5-chloro-3-pyridinyl)-2-N-cyclobutyl-6-pyridin-2-yl-1,3,5-triazine-2,4-diamine;6-(6-ethyl-2-pyridinyl)-4-N-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;4-N-(1-methylimidazol-4-yl)-6-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-phenyl-2-N-propan-2-yl-4-N-[5-(trifluoromethyl)-3-pyridinyl]-1,3,5-triazine-2,4-diamine;3-[4-(propan-2-ylamino)-6-(pyridin-4-ylamino)-1,3,5-triazin-2-yl]phenol.

Molecular Properties

• Compound Name: 6-(3-aminophenyl)-2-N-propan-2-yl-4-N-pyridin-4-yl-1,3,5-triazine-2,4-diamine;4-N-(5-chloro-3-pyridinyl)-2-N-cyclobutyl-6-pyridin-2-yl-1,3,5-triazine-2,4-diamine;6-(6-ethyl-2-pyridinyl)-4-N-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;4-N-(1-methylimidazol-4-yl)-6-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-phenyl-2-N-propan-2-yl-4-N-[5-(trifluoromethyl)-3-pyridinyl]-1,3,5-triazine-2,4-diamine;3-[4-(propan-2-ylamino)-6-(pyridin-4-ylamino)-1,3,5-triazin-2-yl]phenol
• PubChem CID: 158521915
• Molecular Formula: C104H111ClF3N39O
• Molecular Weight: 2015.75 g/mol
• Exact Mass: 2013.95
• IUPAC Name: 6-(3-aminophenyl)-2-N-propan-2-yl-4-N-pyridin-4-yl-1,3,5-triazine-2,4-diamine;4-N-(5-chloro-3-pyridinyl)-2-N-cyclobutyl-6-pyridin-2-yl-1,3,5-triazine-2,4-diamine;6-(6-ethyl-2-pyridinyl)-4-N-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;4-N-(1-methylimidazol-4-yl)-6-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-phenyl-2-N-propan-2-yl-4-N-[5-(trifluoromethyl)-3-pyridinyl]-1,3,5-triazine-2,4-diamine;3-[4-(propan-2-ylamino)-6-(pyridin-4-ylamino)-1,3,5-triazin-2-yl]phenol
• SMILES: CC(C)Nc1nc(Nc2ccncc2)nc(-c2cccc(N)c2)n1.CC(C)Nc1nc(Nc2ccncc2)nc(-c2cccc(O)c2)n1.CC(C)Nc1nc(Nc2cn(C)cn2)nc(-c2ccccc2)n1.CC(C)Nc1nc(Nc2cncc(C(F)(F)F)c2)nc(-c2ccccc2)n1.CCc1cccc(-c2nc(Nc3ccccc3)nc(NC(C)C)n2)n1.Clc1cncc(Nc2nc(NC3CCC3)nc(-c3ccccn3)n2)c1
• InChI: InChI=1S/C19H22N6.C18H17F3N6.C17H16ClN7.C17H19N7.C17H18N6O.C16H19N7/c1-4-14-11-8-12-16(21-14)17-23-18(20-13(2)3)25-19(24-17)22-15-9-6-5-7-10-15;1-11(2)23-16-25-15(12-6-4-3-5-7-12)26-17(27-16)24-14-8-13(9-22-10-14)18(19,20)21;18-11-8-13(10-19-9-11)22-17-24-15(14-6-1-2-7-20-14)23-16(25-17)21-12-4-3-5-12;1-11(2)20-16-22-15(12-4-3-5-13(18)10-12)23-17(24-16)21-14-6-8-19-9-7-14;1-11(2)19-16-21-15(12-4-3-5-14(24)10-12)22-17(23-16)20-13-6-8-18-9-7-13;1-11(2)18-15-20-14(12-7-5-4-6-8-12)21-16(22-15)19-13-9-23(3)10-17-13/h5-13H,4H2,1-3H3,(H2,20,22,23,24,25);3-11H,1-2H3,(H2,23,24,25,26,27);1-2,6-10,12H,3-5H2,(H2,21,22,23,24,25);3-11H,18H2,1-2H3,(H2,19,20,21,22,23,24);3-11,24H,1-2H3,(H2,18,19,20,21,22,23);4-11H,1-3H3,(H2,18,19,20,21,22)
• InChIKey: HMHWDVGCJXDCGC-UHFFFAOYSA-N
• XLogP: 21.39
• TPSA: 517.79 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 40
• Rotatable Bonds: 31
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2015.75
LogP ≤ 5	21.39
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(3-aminophenyl)-2-N-propan-2-yl-4-N-pyridin-4-yl-1,3,5-triazine-2,4-diamine;4-N-(5-chloro-3-pyridinyl)-2-N-cyclobutyl-6-pyridin-2-yl-1,3,5-triazine-2,4-diamine;6-(6-ethyl-2-pyridinyl)-4-N-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;4-N-(1-methylimidazol-4-yl)-6-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-phenyl-2-N-propan-2-yl-4-N-[5-(trifluoromethyl)-3-pyridinyl]-1,3,5-triazine-2,4-diamine;3-[4-(propan-2-ylamino)-6-(pyridin-4-ylamino)-1,3,5-triazin-2-yl]phenol?

The IUPAC name of 6-(3-aminophenyl)-2-N-propan-2-yl-4-N-pyridin-4-yl-1,3,5-triazine-2,4-diamine;4-N-(5-chloro-3-pyridinyl)-2-N-cyclobutyl-6-pyridin-2-yl-1,3,5-triazine-2,4-diamine;6-(6-ethyl-2-pyridinyl)-4-N-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;4-N-(1-methylimidazol-4-yl)-6-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-phenyl-2-N-propan-2-yl-4-N-[5-(trifluoromethyl)-3-pyridinyl]-1,3,5-triazine-2,4-diamine;3-[4-(propan-2-ylamino)-6-(pyridin-4-ylamino)-1,3,5-triazin-2-yl]phenol (CID 158521915) is 6-(3-aminophenyl)-2-N-propan-2-yl-4-N-pyridin-4-yl-1,3,5-triazine-2,4-diamine;4-N-(5-chloro-3-pyridinyl)-2-N-cyclobutyl-6-pyridin-2-yl-1,3,5-triazine-2,4-diamine;6-(6-ethyl-2-pyridinyl)-4-N-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;4-N-(1-methylimidazol-4-yl)-6-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-phenyl-2-N-propan-2-yl-4-N-[5-(trifluoromethyl)-3-pyridinyl]-1,3,5-triazine-2,4-diamine;3-[4-(propan-2-ylamino)-6-(pyridin-4-ylamino)-1,3,5-triazin-2-yl]phenol.

What is the SMILES notation for 6-(3-aminophenyl)-2-N-propan-2-yl-4-N-pyridin-4-yl-1,3,5-triazine-2,4-diamine;4-N-(5-chloro-3-pyridinyl)-2-N-cyclobutyl-6-pyridin-2-yl-1,3,5-triazine-2,4-diamine;6-(6-ethyl-2-pyridinyl)-4-N-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;4-N-(1-methylimidazol-4-yl)-6-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-phenyl-2-N-propan-2-yl-4-N-[5-(trifluoromethyl)-3-pyridinyl]-1,3,5-triazine-2,4-diamine;3-[4-(propan-2-ylamino)-6-(pyridin-4-ylamino)-1,3,5-triazin-2-yl]phenol?

The canonical SMILES for 6-(3-aminophenyl)-2-N-propan-2-yl-4-N-pyridin-4-yl-1,3,5-triazine-2,4-diamine;4-N-(5-chloro-3-pyridinyl)-2-N-cyclobutyl-6-pyridin-2-yl-1,3,5-triazine-2,4-diamine;6-(6-ethyl-2-pyridinyl)-4-N-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;4-N-(1-methylimidazol-4-yl)-6-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-phenyl-2-N-propan-2-yl-4-N-[5-(trifluoromethyl)-3-pyridinyl]-1,3,5-triazine-2,4-diamine;3-[4-(propan-2-ylamino)-6-(pyridin-4-ylamino)-1,3,5-triazin-2-yl]phenol is CC(C)Nc1nc(Nc2ccncc2)nc(-c2cccc(N)c2)n1.CC(C)Nc1nc(Nc2ccncc2)nc(-c2cccc(O)c2)n1.CC(C)Nc1nc(Nc2cn(C)cn2)nc(-c2ccccc2)n1.CC(C)Nc1nc(Nc2cncc(C(F)(F)F)c2)nc(-c2ccccc2)n1.CCc1cccc(-c2nc(Nc3ccccc3)nc(NC(C)C)n2)n1.Clc1cncc(Nc2nc(NC3CCC3)nc(-c3ccccn3)n2)c1.

What is the InChIKey of 6-(3-aminophenyl)-2-N-propan-2-yl-4-N-pyridin-4-yl-1,3,5-triazine-2,4-diamine;4-N-(5-chloro-3-pyridinyl)-2-N-cyclobutyl-6-pyridin-2-yl-1,3,5-triazine-2,4-diamine;6-(6-ethyl-2-pyridinyl)-4-N-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;4-N-(1-methylimidazol-4-yl)-6-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-phenyl-2-N-propan-2-yl-4-N-[5-(trifluoromethyl)-3-pyridinyl]-1,3,5-triazine-2,4-diamine;3-[4-(propan-2-ylamino)-6-(pyridin-4-ylamino)-1,3,5-triazin-2-yl]phenol?

The InChIKey is HMHWDVGCJXDCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6.C18H17F3N6.C17H16ClN7.C17H19N7.C17H18N6O.C16H19N7/c1-4-14-11-8-12-16(21-14)17-23-18(20-13(2)3)25-19(24-17)22-15-9-6-5-7-10-15;1-11(2)23-16-25-15(12-6-4-3-5-7-12)26-17(27-16)24-14-8-13(9-22-10-14)18(19,20)21;18-11-8-13(10-19-9-11)22-17-24-15(14-6-1-2-7-20-14)23-16(25-17)21-12-4-3-5-12;1-11(2)20-16-22-15(12-4-3-5-13(18)10-12)23-17(24-16)21-14-6-8-19-9-7-14;1-11(2)19-16-21-15(12-4-3-5-14(24)10-12)22-17(23-16)20-13-6-8-18-9-7-13;1-11(2)18-15-20-14(12-7-5-4-6-8-12)21-16(22-15)19-13-9-23(3)10-17-13/h5-13H,4H2,1-3H3,(H2,20,22,23,24,25);3-11H,1-2H3,(H2,23,24,25,26,27);1-2,6-10,12H,3-5H2,(H2,21,22,23,24,25);3-11H,18H2,1-2H3,(H2,19,20,21,22,23,24);3-11,24H,1-2H3,(H2,18,19,20,21,22,23);4-11H,1-3H3,(H2,18,19,20,21,22).

What are the key properties of 6-(3-aminophenyl)-2-N-propan-2-yl-4-N-pyridin-4-yl-1,3,5-triazine-2,4-diamine;4-N-(5-chloro-3-pyridinyl)-2-N-cyclobutyl-6-pyridin-2-yl-1,3,5-triazine-2,4-diamine;6-(6-ethyl-2-pyridinyl)-4-N-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;4-N-(1-methylimidazol-4-yl)-6-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-phenyl-2-N-propan-2-yl-4-N-[5-(trifluoromethyl)-3-pyridinyl]-1,3,5-triazine-2,4-diamine;3-[4-(propan-2-ylamino)-6-(pyridin-4-ylamino)-1,3,5-triazin-2-yl]phenol?

6-(3-aminophenyl)-2-N-propan-2-yl-4-N-pyridin-4-yl-1,3,5-triazine-2,4-diamine;4-N-(5-chloro-3-pyridinyl)-2-N-cyclobutyl-6-pyridin-2-yl-1,3,5-triazine-2,4-diamine;6-(6-ethyl-2-pyridinyl)-4-N-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;4-N-(1-methylimidazol-4-yl)-6-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-phenyl-2-N-propan-2-yl-4-N-[5-(trifluoromethyl)-3-pyridinyl]-1,3,5-triazine-2,4-diamine;3-[4-(propan-2-ylamino)-6-(pyridin-4-ylamino)-1,3,5-triazin-2-yl]phenol has a molecular weight of 2015.75 g/mol, XLogP of 21.39, 31 rotatable bonds, 14 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3-aminophenyl)-2-N-propan-2-yl-4-N-pyridin-4-yl-1,3,5-triazine-2,4-diamine;4-N-(5-chloro-3-pyridinyl)-2-N-cyclobutyl-6-pyridin-2-yl-1,3,5-triazine-2,4-diamine;6-(6-ethyl-2-pyridinyl)-4-N-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;4-N-(1-methylimidazol-4-yl)-6-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-phenyl-2-N-propan-2-yl-4-N-[5-(trifluoromethyl)-3-pyridinyl]-1,3,5-triazine-2,4-diamine;3-[4-(propan-2-ylamino)-6-(pyridin-4-ylamino)-1,3,5-triazin-2-yl]phenol is sourced from PubChem (CID 158521915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).