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

C109H107Cl5F13N41O — CID 159077050

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

6-(6-chloro-2-pyridinyl)-2-N-cyclobutyl-4-N-(2-fluoro-4-pyridinyl)-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-4-N-(2,2-dimethylpropyl)-2-N-(5-fluoro-3-pyridinyl)-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-4-N-(2,2-dimethylpropyl)-2-N-(6-fluoro-3-pyridinyl)-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-4-N-(2,2-dimethylpropyl)-2-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;1-[[4-(6-chloro-2-pyridinyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]propan-2-ol;4-N-(2,2-dimethylpropyl)-6-(2-fluorophenyl)-2-N-[5-(trifluoromethyl)-3-pyridinyl]-1,3,5-triazine-2,4-diamine (PubChem CID 159077050) has the molecular formula C109H107Cl5F13N41O and a molecular weight of 2431.58 g/mol. Its IUPAC name is 6-(6-chloro-2-pyridinyl)-2-N-cyclobutyl-4-N-(2-fluoro-4-pyridinyl)-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-4-N-(2,2-dimethylpropyl)-2-N-(5-fluoro-3-pyridinyl)-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-4-N-(2,2-dimethylpropyl)-2-N-(6-fluoro-3-pyridinyl)-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-4-N-(2,2-dimethylpropyl)-2-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;1-[[4-(6-chloro-2-pyridinyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]propan-2-ol;4-N-(2,2-dimethylpropyl)-6-(2-fluorophenyl)-2-N-[5-(trifluoromethyl)-3-pyridinyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

• Compound Name: 6-(6-chloro-2-pyridinyl)-2-N-cyclobutyl-4-N-(2-fluoro-4-pyridinyl)-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-4-N-(2,2-dimethylpropyl)-2-N-(5-fluoro-3-pyridinyl)-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-4-N-(2,2-dimethylpropyl)-2-N-(6-fluoro-3-pyridinyl)-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-4-N-(2,2-dimethylpropyl)-2-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;1-[[4-(6-chloro-2-pyridinyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]propan-2-ol;4-N-(2,2-dimethylpropyl)-6-(2-fluorophenyl)-2-N-[5-(trifluoromethyl)-3-pyridinyl]-1,3,5-triazine-2,4-diamine
• PubChem CID: 159077050
• Molecular Formula: C109H107Cl5F13N41O
• Molecular Weight: 2431.58 g/mol
• Exact Mass: 2427.78
• IUPAC Name: 6-(6-chloro-2-pyridinyl)-2-N-cyclobutyl-4-N-(2-fluoro-4-pyridinyl)-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-4-N-(2,2-dimethylpropyl)-2-N-(5-fluoro-3-pyridinyl)-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-4-N-(2,2-dimethylpropyl)-2-N-(6-fluoro-3-pyridinyl)-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-4-N-(2,2-dimethylpropyl)-2-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;1-[[4-(6-chloro-2-pyridinyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]propan-2-ol;4-N-(2,2-dimethylpropyl)-6-(2-fluorophenyl)-2-N-[5-(trifluoromethyl)-3-pyridinyl]-1,3,5-triazine-2,4-diamine
• SMILES: CC(C)(C)CNc1nc(Nc2ccc(F)nc2)nc(-c2cccc(Cl)n2)n1.CC(C)(C)CNc1nc(Nc2ccnc(C(F)(F)F)c2)nc(-c2cccc(Cl)n2)n1.CC(C)(C)CNc1nc(Nc2cncc(C(F)(F)F)c2)nc(-c2ccccc2F)n1.CC(C)(C)CNc1nc(Nc2cncc(F)c2)nc(-c2cccc(Cl)n2)n1.CC(O)CNc1nc(Nc2ccnc(C(F)(F)F)c2)nc(-c2cccc(Cl)n2)n1.Fc1cc(Nc2nc(NC3CCC3)nc(-c3cccc(Cl)n3)n2)ccn1
• InChI: InChI=1S/C20H20F4N6.C19H19ClF3N7.2C18H19ClFN7.C17H15ClF3N7O.C17H15ClFN7/c1-19(2,3)11-26-17-28-16(14-6-4-5-7-15(14)21)29-18(30-17)27-13-8-12(9-25-10-13)20(22,23)24;1-18(2,3)10-25-16-28-15(12-5-4-6-14(20)27-12)29-17(30-16)26-11-7-8-24-13(9-11)19(21,22)23;1-18(2,3)10-22-16-25-15(13-5-4-6-14(19)24-13)26-17(27-16)23-12-7-11(20)8-21-9-12;1-18(2,3)10-22-16-25-15(12-5-4-6-13(19)24-12)26-17(27-16)23-11-7-8-14(20)21-9-11;1-9(29)8-23-15-26-14(11-3-2-4-13(18)25-11)27-16(28-15)24-10-5-6-22-12(7-10)17(19,20)21;18-13-6-2-5-12(23-13)15-24-16(21-10-3-1-4-10)26-17(25-15)22-11-7-8-20-14(19)9-11/h4-10H,11H2,1-3H3,(H2,26,27,28,29,30);4-9H,10H2,1-3H3,(H2,24,25,26,28,29,30);2*4-9H,10H2,1-3H3,(H2,22,23,25,26,27);2-7,9,29H,8H2,1H3,(H2,22,23,24,26,27,28);2,5-10H,1,3-4H2,(H2,20,21,22,24,25,26)
• InChIKey: KAJNWPWREYSSOK-UHFFFAOYSA-N
• XLogP: 26.51
• TPSA: 538.40 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 42
• Rotatable Bonds: 31
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2431.58
LogP ≤ 5	26.51
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 6-(6-chloro-2-pyridinyl)-2-N-cyclobutyl-4-N-(2-fluoro-4-pyridinyl)-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-4-N-(2,2-dimethylpropyl)-2-N-(5-fluoro-3-pyridinyl)-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-4-N-(2,2-dimethylpropyl)-2-N-(6-fluoro-3-pyridinyl)-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-4-N-(2,2-dimethylpropyl)-2-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;1-[[4-(6-chloro-2-pyridinyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]propan-2-ol;4-N-(2,2-dimethylpropyl)-6-(2-fluorophenyl)-2-N-[5-(trifluoromethyl)-3-pyridinyl]-1,3,5-triazine-2,4-diamine (CID 159077050) is 6-(6-chloro-2-pyridinyl)-2-N-cyclobutyl-4-N-(2-fluoro-4-pyridinyl)-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-4-N-(2,2-dimethylpropyl)-2-N-(5-fluoro-3-pyridinyl)-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-4-N-(2,2-dimethylpropyl)-2-N-(6-fluoro-3-pyridinyl)-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-4-N-(2,2-dimethylpropyl)-2-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;1-[[4-(6-chloro-2-pyridinyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]propan-2-ol;4-N-(2,2-dimethylpropyl)-6-(2-fluorophenyl)-2-N-[5-(trifluoromethyl)-3-pyridinyl]-1,3,5-triazine-2,4-diamine.

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

The canonical SMILES for 6-(6-chloro-2-pyridinyl)-2-N-cyclobutyl-4-N-(2-fluoro-4-pyridinyl)-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-4-N-(2,2-dimethylpropyl)-2-N-(5-fluoro-3-pyridinyl)-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-4-N-(2,2-dimethylpropyl)-2-N-(6-fluoro-3-pyridinyl)-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-4-N-(2,2-dimethylpropyl)-2-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;1-[[4-(6-chloro-2-pyridinyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]propan-2-ol;4-N-(2,2-dimethylpropyl)-6-(2-fluorophenyl)-2-N-[5-(trifluoromethyl)-3-pyridinyl]-1,3,5-triazine-2,4-diamine is CC(C)(C)CNc1nc(Nc2ccc(F)nc2)nc(-c2cccc(Cl)n2)n1.CC(C)(C)CNc1nc(Nc2ccnc(C(F)(F)F)c2)nc(-c2cccc(Cl)n2)n1.CC(C)(C)CNc1nc(Nc2cncc(C(F)(F)F)c2)nc(-c2ccccc2F)n1.CC(C)(C)CNc1nc(Nc2cncc(F)c2)nc(-c2cccc(Cl)n2)n1.CC(O)CNc1nc(Nc2ccnc(C(F)(F)F)c2)nc(-c2cccc(Cl)n2)n1.Fc1cc(Nc2nc(NC3CCC3)nc(-c3cccc(Cl)n3)n2)ccn1.

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

The InChIKey is KAJNWPWREYSSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F4N6.C19H19ClF3N7.2C18H19ClFN7.C17H15ClF3N7O.C17H15ClFN7/c1-19(2,3)11-26-17-28-16(14-6-4-5-7-15(14)21)29-18(30-17)27-13-8-12(9-25-10-13)20(22,23)24;1-18(2,3)10-25-16-28-15(12-5-4-6-14(20)27-12)29-17(30-16)26-11-7-8-24-13(9-11)19(21,22)23;1-18(2,3)10-22-16-25-15(13-5-4-6-14(19)24-13)26-17(27-16)23-12-7-11(20)8-21-9-12;1-18(2,3)10-22-16-25-15(12-5-4-6-13(19)24-12)26-17(27-16)23-11-7-8-14(20)21-9-11;1-9(29)8-23-15-26-14(11-3-2-4-13(18)25-11)27-16(28-15)24-10-5-6-22-12(7-10)17(19,20)21;18-13-6-2-5-12(23-13)15-24-16(21-10-3-1-4-10)26-17(25-15)22-11-7-8-20-14(19)9-11/h4-10H,11H2,1-3H3,(H2,26,27,28,29,30);4-9H,10H2,1-3H3,(H2,24,25,26,28,29,30);2*4-9H,10H2,1-3H3,(H2,22,23,25,26,27);2-7,9,29H,8H2,1H3,(H2,22,23,24,26,27,28);2,5-10H,1,3-4H2,(H2,20,21,22,24,25,26).

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

6-(6-chloro-2-pyridinyl)-2-N-cyclobutyl-4-N-(2-fluoro-4-pyridinyl)-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-4-N-(2,2-dimethylpropyl)-2-N-(5-fluoro-3-pyridinyl)-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-4-N-(2,2-dimethylpropyl)-2-N-(6-fluoro-3-pyridinyl)-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-4-N-(2,2-dimethylpropyl)-2-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;1-[[4-(6-chloro-2-pyridinyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]propan-2-ol;4-N-(2,2-dimethylpropyl)-6-(2-fluorophenyl)-2-N-[5-(trifluoromethyl)-3-pyridinyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 2431.58 g/mol, XLogP of 26.51, 31 rotatable bonds, 13 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(6-chloro-2-pyridinyl)-2-N-cyclobutyl-4-N-(2-fluoro-4-pyridinyl)-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-4-N-(2,2-dimethylpropyl)-2-N-(5-fluoro-3-pyridinyl)-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-4-N-(2,2-dimethylpropyl)-2-N-(6-fluoro-3-pyridinyl)-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-4-N-(2,2-dimethylpropyl)-2-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;1-[[4-(6-chloro-2-pyridinyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]propan-2-ol;4-N-(2,2-dimethylpropyl)-6-(2-fluorophenyl)-2-N-[5-(trifluoromethyl)-3-pyridinyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 159077050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).