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

C111H100F16N36O2 — CID 160712879

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

2-N-cyclobutyl-6-(2-fluoro-3-methoxyphenyl)-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-cyclobutyl-6-(2-fluorophenyl)-4-N-(2-fluoro-4-pyridinyl)-1,3,5-triazine-2,4-diamine;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-(6-fluoro-3-pyridinyl)-1,3,5-triazine-2,4-diamine;2-N-cyclobutyl-6-(2-fluorophenyl)-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;1-[[4-(2-fluorophenyl)-6-[(2-fluoro-4-pyridinyl)amino]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol (PubChem CID 160712879) has the molecular formula C111H100F16N36O2 and a molecular weight of 2274.24 g/mol. Its IUPAC name is 2-N-cyclobutyl-6-(2-fluoro-3-methoxyphenyl)-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-cyclobutyl-6-(2-fluorophenyl)-4-N-(2-fluoro-4-pyridinyl)-1,3,5-triazine-2,4-diamine;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-(6-fluoro-3-pyridinyl)-1,3,5-triazine-2,4-diamine;2-N-cyclobutyl-6-(2-fluorophenyl)-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;1-[[4-(2-fluorophenyl)-6-[(2-fluoro-4-pyridinyl)amino]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol.

Molecular Properties

• Compound Name: 2-N-cyclobutyl-6-(2-fluoro-3-methoxyphenyl)-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-cyclobutyl-6-(2-fluorophenyl)-4-N-(2-fluoro-4-pyridinyl)-1,3,5-triazine-2,4-diamine;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-(6-fluoro-3-pyridinyl)-1,3,5-triazine-2,4-diamine;2-N-cyclobutyl-6-(2-fluorophenyl)-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;1-[[4-(2-fluorophenyl)-6-[(2-fluoro-4-pyridinyl)amino]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol
• PubChem CID: 160712879
• Molecular Formula: C111H100F16N36O2
• Molecular Weight: 2274.24 g/mol
• Exact Mass: 2272.86
• IUPAC Name: 2-N-cyclobutyl-6-(2-fluoro-3-methoxyphenyl)-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-cyclobutyl-6-(2-fluorophenyl)-4-N-(2-fluoro-4-pyridinyl)-1,3,5-triazine-2,4-diamine;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-(6-fluoro-3-pyridinyl)-1,3,5-triazine-2,4-diamine;2-N-cyclobutyl-6-(2-fluorophenyl)-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;1-[[4-(2-fluorophenyl)-6-[(2-fluoro-4-pyridinyl)amino]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol
• SMILES: CC(C)(O)CNc1nc(Nc2ccnc(F)c2)nc(-c2ccccc2F)n1.COc1cccc(-c2nc(Nc3ccnc(C(F)(F)F)c3)nc(NC3CCC3)n2)c1F.Fc1cc(Nc2nc(NC3CCC3)nc(-c3ccccc3F)n2)ccn1.Fc1ccc(Nc2nc(NC3CCC3)nc(-c3ccccc3F)n2)cn1.Fc1ccccc1-c1nc(Nc2ccnc(C(F)(F)F)c2)nc(NC2CCC2)n1.Fc1cncc(Nc2nc(NC3CCC3)nc(-c3ccccc3F)n2)c1
• InChI: InChI=1S/C20H18F4N6O.C19H16F4N6.C18H18F2N6O.3C18H16F2N6/c1-31-14-7-3-6-13(16(14)21)17-28-18(26-11-4-2-5-11)30-19(29-17)27-12-8-9-25-15(10-12)20(22,23)24;20-14-7-2-1-6-13(14)16-27-17(25-11-4-3-5-11)29-18(28-16)26-12-8-9-24-15(10-12)19(21,22)23;1-18(2,27)10-22-16-24-15(12-5-3-4-6-13(12)19)25-17(26-16)23-11-7-8-21-14(20)9-11;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;19-14-7-2-1-6-13(14)16-24-17(22-11-4-3-5-11)26-18(25-16)23-12-8-9-21-15(20)10-12;19-14-7-2-1-6-13(14)16-24-17(22-11-4-3-5-11)26-18(25-16)23-12-8-9-15(20)21-10-12/h3,6-11H,2,4-5H2,1H3,(H2,25,26,27,28,29,30);1-2,6-11H,3-5H2,(H2,24,25,26,27,28,29);3-9,27H,10H2,1-2H3,(H2,21,22,23,24,25,26);1-2,6-10,12H,3-5H2,(H2,22,23,24,25,26);1-2,6-11H,3-5H2,(H2,21,22,23,24,25,26);1-2,6-11H,3-5H2,(H2,22,23,24,25,26)
• InChIKey: RSCBZJVMKWSYHA-UHFFFAOYSA-N
• XLogP: 24.51
• TPSA: 483.18 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 38
• Rotatable Bonds: 32
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2274.24
LogP ≤ 5	24.51
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-fluoro-3-methoxyphenyl)-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-cyclobutyl-6-(2-fluorophenyl)-4-N-(2-fluoro-4-pyridinyl)-1,3,5-triazine-2,4-diamine;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-(6-fluoro-3-pyridinyl)-1,3,5-triazine-2,4-diamine;2-N-cyclobutyl-6-(2-fluorophenyl)-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;1-[[4-(2-fluorophenyl)-6-[(2-fluoro-4-pyridinyl)amino]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol?

The IUPAC name of 2-N-cyclobutyl-6-(2-fluoro-3-methoxyphenyl)-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-cyclobutyl-6-(2-fluorophenyl)-4-N-(2-fluoro-4-pyridinyl)-1,3,5-triazine-2,4-diamine;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-(6-fluoro-3-pyridinyl)-1,3,5-triazine-2,4-diamine;2-N-cyclobutyl-6-(2-fluorophenyl)-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;1-[[4-(2-fluorophenyl)-6-[(2-fluoro-4-pyridinyl)amino]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol (CID 160712879) is 2-N-cyclobutyl-6-(2-fluoro-3-methoxyphenyl)-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-cyclobutyl-6-(2-fluorophenyl)-4-N-(2-fluoro-4-pyridinyl)-1,3,5-triazine-2,4-diamine;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-(6-fluoro-3-pyridinyl)-1,3,5-triazine-2,4-diamine;2-N-cyclobutyl-6-(2-fluorophenyl)-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;1-[[4-(2-fluorophenyl)-6-[(2-fluoro-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-fluoro-3-methoxyphenyl)-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-cyclobutyl-6-(2-fluorophenyl)-4-N-(2-fluoro-4-pyridinyl)-1,3,5-triazine-2,4-diamine;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-(6-fluoro-3-pyridinyl)-1,3,5-triazine-2,4-diamine;2-N-cyclobutyl-6-(2-fluorophenyl)-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;1-[[4-(2-fluorophenyl)-6-[(2-fluoro-4-pyridinyl)amino]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol?

The canonical SMILES for 2-N-cyclobutyl-6-(2-fluoro-3-methoxyphenyl)-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-cyclobutyl-6-(2-fluorophenyl)-4-N-(2-fluoro-4-pyridinyl)-1,3,5-triazine-2,4-diamine;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-(6-fluoro-3-pyridinyl)-1,3,5-triazine-2,4-diamine;2-N-cyclobutyl-6-(2-fluorophenyl)-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;1-[[4-(2-fluorophenyl)-6-[(2-fluoro-4-pyridinyl)amino]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol is CC(C)(O)CNc1nc(Nc2ccnc(F)c2)nc(-c2ccccc2F)n1.COc1cccc(-c2nc(Nc3ccnc(C(F)(F)F)c3)nc(NC3CCC3)n2)c1F.Fc1cc(Nc2nc(NC3CCC3)nc(-c3ccccc3F)n2)ccn1.Fc1ccc(Nc2nc(NC3CCC3)nc(-c3ccccc3F)n2)cn1.Fc1ccccc1-c1nc(Nc2ccnc(C(F)(F)F)c2)nc(NC2CCC2)n1.Fc1cncc(Nc2nc(NC3CCC3)nc(-c3ccccc3F)n2)c1.

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

The InChIKey is RSCBZJVMKWSYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F4N6O.C19H16F4N6.C18H18F2N6O.3C18H16F2N6/c1-31-14-7-3-6-13(16(14)21)17-28-18(26-11-4-2-5-11)30-19(29-17)27-12-8-9-25-15(10-12)20(22,23)24;20-14-7-2-1-6-13(14)16-27-17(25-11-4-3-5-11)29-18(28-16)26-12-8-9-24-15(10-12)19(21,22)23;1-18(2,27)10-22-16-24-15(12-5-3-4-6-13(12)19)25-17(26-16)23-11-7-8-21-14(20)9-11;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;19-14-7-2-1-6-13(14)16-24-17(22-11-4-3-5-11)26-18(25-16)23-12-8-9-21-15(20)10-12;19-14-7-2-1-6-13(14)16-24-17(22-11-4-3-5-11)26-18(25-16)23-12-8-9-15(20)21-10-12/h3,6-11H,2,4-5H2,1H3,(H2,25,26,27,28,29,30);1-2,6-11H,3-5H2,(H2,24,25,26,27,28,29);3-9,27H,10H2,1-2H3,(H2,21,22,23,24,25,26);1-2,6-10,12H,3-5H2,(H2,22,23,24,25,26);1-2,6-11H,3-5H2,(H2,21,22,23,24,25,26);1-2,6-11H,3-5H2,(H2,22,23,24,25,26).

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

2-N-cyclobutyl-6-(2-fluoro-3-methoxyphenyl)-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-cyclobutyl-6-(2-fluorophenyl)-4-N-(2-fluoro-4-pyridinyl)-1,3,5-triazine-2,4-diamine;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-(6-fluoro-3-pyridinyl)-1,3,5-triazine-2,4-diamine;2-N-cyclobutyl-6-(2-fluorophenyl)-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;1-[[4-(2-fluorophenyl)-6-[(2-fluoro-4-pyridinyl)amino]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol has a molecular weight of 2274.24 g/mol, XLogP of 24.51, 32 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-fluoro-3-methoxyphenyl)-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-cyclobutyl-6-(2-fluorophenyl)-4-N-(2-fluoro-4-pyridinyl)-1,3,5-triazine-2,4-diamine;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-(6-fluoro-3-pyridinyl)-1,3,5-triazine-2,4-diamine;2-N-cyclobutyl-6-(2-fluorophenyl)-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;1-[[4-(2-fluorophenyl)-6-[(2-fluoro-4-pyridinyl)amino]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol is sourced from PubChem (CID 160712879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).