2-N-cyclobutyl-6-(2-fluorophenyl)-4-N-(5-fluoro-3-pyridinyl)-1,3,5-triazine-2,4-diamine;2-N-cyclobutyl-6-(2-fluorophenyl)-4-N-(3-methylsulfonylphenyl)-1,3,5-triazine-2,4-diamine;4-N-(2-cyclopropyl-4-pyridinyl)-6-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;4-N-(6-cyclopropyl-3-pyridinyl)-6-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-(2-fluorophenyl)-2-N-(2-fluoro-4-pyridinyl)-4-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine;1-[[4-(2-fluorophenyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol

C115H116F9N35O3S — CID 158713305

About 2-N-cyclobutyl-6-(2-fluorophenyl)-4-N-(5-fluoro-3-pyridinyl)-1,3,5-triazine-2,4-diamine;2-N-cyclobutyl-6-(2-fluorophenyl)-4-N-(3-methylsulfonylphenyl)-1,3,5-triazine-2,4-diamine;4-N-(2-cyclopropyl-4-pyridinyl)-6-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;4-N-(6-cyclopropyl-3-pyridinyl)-6-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-(2-fluorophenyl)-2-N-(2-fluoro-4-pyridinyl)-4-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine;1-[[4-(2-fluorophenyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol

2-N-cyclobutyl-6-(2-fluorophenyl)-4-N-(5-fluoro-3-pyridinyl)-1,3,5-triazine-2,4-diamine;2-N-cyclobutyl-6-(2-fluorophenyl)-4-N-(3-methylsulfonylphenyl)-1,3,5-triazine-2,4-diamine;4-N-(2-cyclopropyl-4-pyridinyl)-6-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;4-N-(6-cyclopropyl-3-pyridinyl)-6-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-(2-fluorophenyl)-2-N-(2-fluoro-4-pyridinyl)-4-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine;1-[[4-(2-fluorophenyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol (PubChem CID 158713305) has the molecular formula C115H116F9N35O3S and a molecular weight of 2239.48 g/mol. Its IUPAC name is 2-N-cyclobutyl-6-(2-fluorophenyl)-4-N-(5-fluoro-3-pyridinyl)-1,3,5-triazine-2,4-diamine;2-N-cyclobutyl-6-(2-fluorophenyl)-4-N-(3-methylsulfonylphenyl)-1,3,5-triazine-2,4-diamine;4-N-(2-cyclopropyl-4-pyridinyl)-6-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;4-N-(6-cyclopropyl-3-pyridinyl)-6-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-(2-fluorophenyl)-2-N-(2-fluoro-4-pyridinyl)-4-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine;1-[[4-(2-fluorophenyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol.

Molecular Properties

• Compound Name: 2-N-cyclobutyl-6-(2-fluorophenyl)-4-N-(5-fluoro-3-pyridinyl)-1,3,5-triazine-2,4-diamine;2-N-cyclobutyl-6-(2-fluorophenyl)-4-N-(3-methylsulfonylphenyl)-1,3,5-triazine-2,4-diamine;4-N-(2-cyclopropyl-4-pyridinyl)-6-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;4-N-(6-cyclopropyl-3-pyridinyl)-6-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-(2-fluorophenyl)-2-N-(2-fluoro-4-pyridinyl)-4-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine;1-[[4-(2-fluorophenyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol
• PubChem CID: 158713305
• Molecular Formula: C115H116F9N35O3S
• Molecular Weight: 2239.48 g/mol
• Exact Mass: 2237.96
• IUPAC Name: 2-N-cyclobutyl-6-(2-fluorophenyl)-4-N-(5-fluoro-3-pyridinyl)-1,3,5-triazine-2,4-diamine;2-N-cyclobutyl-6-(2-fluorophenyl)-4-N-(3-methylsulfonylphenyl)-1,3,5-triazine-2,4-diamine;4-N-(2-cyclopropyl-4-pyridinyl)-6-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;4-N-(6-cyclopropyl-3-pyridinyl)-6-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-(2-fluorophenyl)-2-N-(2-fluoro-4-pyridinyl)-4-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine;1-[[4-(2-fluorophenyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol
• SMILES: CC(C)(O)CNc1nc(Nc2ccnc(C(F)(F)F)c2)nc(-c2ccccc2F)n1.CC(C)CNc1nc(Nc2ccnc(F)c2)nc(-c2ccccc2F)n1.CC(C)Nc1nc(Nc2ccc(C3CC3)nc2)nc(-c2ccccc2)n1.CC(C)Nc1nc(Nc2ccnc(C3CC3)c2)nc(-c2ccccc2)n1.CS(=O)(=O)c1cccc(Nc2nc(NC3CCC3)nc(-c3ccccc3F)n2)c1.Fc1cncc(Nc2nc(NC3CCC3)nc(-c3ccccc3F)n2)c1
• InChI: InChI=1S/C20H20FN5O2S.2C20H22N6.C19H18F4N6O.C18H16F2N6.C18H18F2N6/c1-29(27,28)15-9-5-8-14(12-15)23-20-25-18(16-10-2-3-11-17(16)21)24-19(26-20)22-13-6-4-7-13;1-13(2)22-19-24-18(15-6-4-3-5-7-15)25-20(26-19)23-16-10-11-21-17(12-16)14-8-9-14;1-13(2)22-19-24-18(15-6-4-3-5-7-15)25-20(26-19)23-16-10-11-17(21-12-16)14-8-9-14;1-18(2,30)10-25-16-27-15(12-5-3-4-6-13(12)20)28-17(29-16)26-11-7-8-24-14(9-11)19(21,22)23;19-11-8-13(10-21-9-11)23-18-25-16(14-6-1-2-7-15(14)20)24-17(26-18)22-12-4-3-5-12;1-11(2)10-22-17-24-16(13-5-3-4-6-14(13)19)25-18(26-17)23-12-7-8-21-15(20)9-12/h2-3,5,8-13H,4,6-7H2,1H3,(H2,22,23,24,25,26);3-7,10-14H,8-9H2,1-2H3,(H2,21,22,23,24,25,26);3-7,10-14H,8-9H2,1-2H3,(H2,22,23,24,25,26);3-9,30H,10H2,1-2H3,(H2,24,25,26,27,28,29);1-2,6-10,12H,3-5H2,(H2,22,23,24,25,26);3-9,11H,10H2,1-2H3,(H2,21,22,23,24,25,26)
• InChIKey: IIZOVMTVBNUBKG-UHFFFAOYSA-N
• XLogP: 24.50
• TPSA: 495.20 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 38
• Rotatable Bonds: 35
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2239.48
LogP ≤ 5	24.50
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclobutyl-6-(2-fluorophenyl)-4-N-(5-fluoro-3-pyridinyl)-1,3,5-triazine-2,4-diamine;2-N-cyclobutyl-6-(2-fluorophenyl)-4-N-(3-methylsulfonylphenyl)-1,3,5-triazine-2,4-diamine;4-N-(2-cyclopropyl-4-pyridinyl)-6-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;4-N-(6-cyclopropyl-3-pyridinyl)-6-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-(2-fluorophenyl)-2-N-(2-fluoro-4-pyridinyl)-4-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine;1-[[4-(2-fluorophenyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol?

The IUPAC name of 2-N-cyclobutyl-6-(2-fluorophenyl)-4-N-(5-fluoro-3-pyridinyl)-1,3,5-triazine-2,4-diamine;2-N-cyclobutyl-6-(2-fluorophenyl)-4-N-(3-methylsulfonylphenyl)-1,3,5-triazine-2,4-diamine;4-N-(2-cyclopropyl-4-pyridinyl)-6-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;4-N-(6-cyclopropyl-3-pyridinyl)-6-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-(2-fluorophenyl)-2-N-(2-fluoro-4-pyridinyl)-4-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine;1-[[4-(2-fluorophenyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol (CID 158713305) is 2-N-cyclobutyl-6-(2-fluorophenyl)-4-N-(5-fluoro-3-pyridinyl)-1,3,5-triazine-2,4-diamine;2-N-cyclobutyl-6-(2-fluorophenyl)-4-N-(3-methylsulfonylphenyl)-1,3,5-triazine-2,4-diamine;4-N-(2-cyclopropyl-4-pyridinyl)-6-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;4-N-(6-cyclopropyl-3-pyridinyl)-6-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-(2-fluorophenyl)-2-N-(2-fluoro-4-pyridinyl)-4-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine;1-[[4-(2-fluorophenyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol.

What is the SMILES notation for 2-N-cyclobutyl-6-(2-fluorophenyl)-4-N-(5-fluoro-3-pyridinyl)-1,3,5-triazine-2,4-diamine;2-N-cyclobutyl-6-(2-fluorophenyl)-4-N-(3-methylsulfonylphenyl)-1,3,5-triazine-2,4-diamine;4-N-(2-cyclopropyl-4-pyridinyl)-6-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;4-N-(6-cyclopropyl-3-pyridinyl)-6-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-(2-fluorophenyl)-2-N-(2-fluoro-4-pyridinyl)-4-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine;1-[[4-(2-fluorophenyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol?

The canonical SMILES for 2-N-cyclobutyl-6-(2-fluorophenyl)-4-N-(5-fluoro-3-pyridinyl)-1,3,5-triazine-2,4-diamine;2-N-cyclobutyl-6-(2-fluorophenyl)-4-N-(3-methylsulfonylphenyl)-1,3,5-triazine-2,4-diamine;4-N-(2-cyclopropyl-4-pyridinyl)-6-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;4-N-(6-cyclopropyl-3-pyridinyl)-6-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-(2-fluorophenyl)-2-N-(2-fluoro-4-pyridinyl)-4-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine;1-[[4-(2-fluorophenyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol is CC(C)(O)CNc1nc(Nc2ccnc(C(F)(F)F)c2)nc(-c2ccccc2F)n1.CC(C)CNc1nc(Nc2ccnc(F)c2)nc(-c2ccccc2F)n1.CC(C)Nc1nc(Nc2ccc(C3CC3)nc2)nc(-c2ccccc2)n1.CC(C)Nc1nc(Nc2ccnc(C3CC3)c2)nc(-c2ccccc2)n1.CS(=O)(=O)c1cccc(Nc2nc(NC3CCC3)nc(-c3ccccc3F)n2)c1.Fc1cncc(Nc2nc(NC3CCC3)nc(-c3ccccc3F)n2)c1.

What is the InChIKey of 2-N-cyclobutyl-6-(2-fluorophenyl)-4-N-(5-fluoro-3-pyridinyl)-1,3,5-triazine-2,4-diamine;2-N-cyclobutyl-6-(2-fluorophenyl)-4-N-(3-methylsulfonylphenyl)-1,3,5-triazine-2,4-diamine;4-N-(2-cyclopropyl-4-pyridinyl)-6-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;4-N-(6-cyclopropyl-3-pyridinyl)-6-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-(2-fluorophenyl)-2-N-(2-fluoro-4-pyridinyl)-4-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine;1-[[4-(2-fluorophenyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol?

The InChIKey is IIZOVMTVBNUBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O2S.2C20H22N6.C19H18F4N6O.C18H16F2N6.C18H18F2N6/c1-29(27,28)15-9-5-8-14(12-15)23-20-25-18(16-10-2-3-11-17(16)21)24-19(26-20)22-13-6-4-7-13;1-13(2)22-19-24-18(15-6-4-3-5-7-15)25-20(26-19)23-16-10-11-21-17(12-16)14-8-9-14;1-13(2)22-19-24-18(15-6-4-3-5-7-15)25-20(26-19)23-16-10-11-17(21-12-16)14-8-9-14;1-18(2,30)10-25-16-27-15(12-5-3-4-6-13(12)20)28-17(29-16)26-11-7-8-24-14(9-11)19(21,22)23;19-11-8-13(10-21-9-11)23-18-25-16(14-6-1-2-7-15(14)20)24-17(26-18)22-12-4-3-5-12;1-11(2)10-22-17-24-16(13-5-3-4-6-14(13)19)25-18(26-17)23-12-7-8-21-15(20)9-12/h2-3,5,8-13H,4,6-7H2,1H3,(H2,22,23,24,25,26);3-7,10-14H,8-9H2,1-2H3,(H2,21,22,23,24,25,26);3-7,10-14H,8-9H2,1-2H3,(H2,22,23,24,25,26);3-9,30H,10H2,1-2H3,(H2,24,25,26,27,28,29);1-2,6-10,12H,3-5H2,(H2,22,23,24,25,26);3-9,11H,10H2,1-2H3,(H2,21,22,23,24,25,26).

What are the key properties of 2-N-cyclobutyl-6-(2-fluorophenyl)-4-N-(5-fluoro-3-pyridinyl)-1,3,5-triazine-2,4-diamine;2-N-cyclobutyl-6-(2-fluorophenyl)-4-N-(3-methylsulfonylphenyl)-1,3,5-triazine-2,4-diamine;4-N-(2-cyclopropyl-4-pyridinyl)-6-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;4-N-(6-cyclopropyl-3-pyridinyl)-6-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-(2-fluorophenyl)-2-N-(2-fluoro-4-pyridinyl)-4-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine;1-[[4-(2-fluorophenyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol?

2-N-cyclobutyl-6-(2-fluorophenyl)-4-N-(5-fluoro-3-pyridinyl)-1,3,5-triazine-2,4-diamine;2-N-cyclobutyl-6-(2-fluorophenyl)-4-N-(3-methylsulfonylphenyl)-1,3,5-triazine-2,4-diamine;4-N-(2-cyclopropyl-4-pyridinyl)-6-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;4-N-(6-cyclopropyl-3-pyridinyl)-6-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-(2-fluorophenyl)-2-N-(2-fluoro-4-pyridinyl)-4-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine;1-[[4-(2-fluorophenyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol has a molecular weight of 2239.48 g/mol, XLogP of 24.50, 35 rotatable bonds, 13 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-cyclobutyl-6-(2-fluorophenyl)-4-N-(5-fluoro-3-pyridinyl)-1,3,5-triazine-2,4-diamine;2-N-cyclobutyl-6-(2-fluorophenyl)-4-N-(3-methylsulfonylphenyl)-1,3,5-triazine-2,4-diamine;4-N-(2-cyclopropyl-4-pyridinyl)-6-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;4-N-(6-cyclopropyl-3-pyridinyl)-6-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-(2-fluorophenyl)-2-N-(2-fluoro-4-pyridinyl)-4-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine;1-[[4-(2-fluorophenyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol is sourced from PubChem (CID 158713305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).