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

C₇₅H₇₀ClF₁₄N₂₉ — CID 160596120

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

6-(6-chloro-2-pyridinyl)-2-N-cyclobutyl-4-N-(6-fluoro-3-pyridinyl)-1,3,5-triazine-2,4-diamine;4-N-(2,2-dimethylpropyl)-2-N-(5-fluoro-3-pyridinyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(2,2-dimethylpropyl)-2-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-[[4-(2-methylpropylamino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]pyridine-2-carbonitrile (PubChem CID 160596120) has the molecular formula C₇₅H₇₀ClF₁₄N₂₉ and a molecular weight of 1679.01 g/mol. Its IUPAC name is 6-(6-chloro-2-pyridinyl)-2-N-cyclobutyl-4-N-(6-fluoro-3-pyridinyl)-1,3,5-triazine-2,4-diamine;4-N-(2,2-dimethylpropyl)-2-N-(5-fluoro-3-pyridinyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(2,2-dimethylpropyl)-2-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-[[4-(2-methylpropylamino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]pyridine-2-carbonitrile.

Molecular Properties

• Compound Name: 6-(6-chloro-2-pyridinyl)-2-N-cyclobutyl-4-N-(6-fluoro-3-pyridinyl)-1,3,5-triazine-2,4-diamine;4-N-(2,2-dimethylpropyl)-2-N-(5-fluoro-3-pyridinyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(2,2-dimethylpropyl)-2-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-[[4-(2-methylpropylamino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]pyridine-2-carbonitrile
• PubChem CID: 160596120
• Molecular Formula: C₇₅H₇₀ClF₁₄N₂₉
• Molecular Weight: 1679.01 g/mol
• Exact Mass: 1677.58
• IUPAC Name: 6-(6-chloro-2-pyridinyl)-2-N-cyclobutyl-4-N-(6-fluoro-3-pyridinyl)-1,3,5-triazine-2,4-diamine;4-N-(2,2-dimethylpropyl)-2-N-(5-fluoro-3-pyridinyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(2,2-dimethylpropyl)-2-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-[[4-(2-methylpropylamino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]pyridine-2-carbonitrile
• SMILES: CC(C)(C)CNc1nc(Nc2ccnc(C(F)(F)F)c2)nc(-c2cccc(C(F)(F)F)n2)n1.CC(C)(C)CNc1nc(Nc2cncc(F)c2)nc(-c2cccc(C(F)(F)F)n2)n1.CC(C)CNc1nc(Nc2ccnc(C#N)c2)nc(-c2cccc(C(F)(F)F)n2)n1.Fc1ccc(Nc2nc(NC3CCC3)nc(-c3cccc(Cl)n3)n2)cn1
• InChI: InChI=1S/C20H19F6N7.C19H19F4N7.C19H17F3N8.C17H15ClFN7/c1-18(2,3)10-28-16-31-15(12-5-4-6-13(30-12)19(21,22)23)32-17(33-16)29-11-7-8-27-14(9-11)20(24,25)26;1-18(2,3)10-25-16-28-15(13-5-4-6-14(27-13)19(21,22)23)29-17(30-16)26-12-7-11(20)8-24-9-12;1-11(2)10-25-17-28-16(14-4-3-5-15(27-14)19(20,21)22)29-18(30-17)26-12-6-7-24-13(8-12)9-23;18-13-6-2-5-12(23-13)15-24-16(21-10-3-1-4-10)26-17(25-15)22-11-7-8-14(19)20-9-11/h4-9H,10H2,1-3H3,(H2,27,28,29,31,32,33);4-9H,10H2,1-3H3,(H2,25,26,28,29,30);3-8,11H,10H2,1-2H3,(H2,24,25,26,28,29,30);2,5-10H,1,3-4H2,(H2,21,22,24,25,26)
• InChIKey: RDQQXINSOPJJBI-UHFFFAOYSA-N
• XLogP: 18.12
• TPSA: 377.83 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 29
• Rotatable Bonds: 21
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1679.01
LogP ≤ 5	18.12
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	29

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-(6-fluoro-3-pyridinyl)-1,3,5-triazine-2,4-diamine;4-N-(2,2-dimethylpropyl)-2-N-(5-fluoro-3-pyridinyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(2,2-dimethylpropyl)-2-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-[[4-(2-methylpropylamino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]pyridine-2-carbonitrile?

The IUPAC name of 6-(6-chloro-2-pyridinyl)-2-N-cyclobutyl-4-N-(6-fluoro-3-pyridinyl)-1,3,5-triazine-2,4-diamine;4-N-(2,2-dimethylpropyl)-2-N-(5-fluoro-3-pyridinyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(2,2-dimethylpropyl)-2-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-[[4-(2-methylpropylamino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]pyridine-2-carbonitrile (CID 160596120) is 6-(6-chloro-2-pyridinyl)-2-N-cyclobutyl-4-N-(6-fluoro-3-pyridinyl)-1,3,5-triazine-2,4-diamine;4-N-(2,2-dimethylpropyl)-2-N-(5-fluoro-3-pyridinyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(2,2-dimethylpropyl)-2-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-[[4-(2-methylpropylamino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]pyridine-2-carbonitrile.

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

The canonical SMILES for 6-(6-chloro-2-pyridinyl)-2-N-cyclobutyl-4-N-(6-fluoro-3-pyridinyl)-1,3,5-triazine-2,4-diamine;4-N-(2,2-dimethylpropyl)-2-N-(5-fluoro-3-pyridinyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(2,2-dimethylpropyl)-2-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-[[4-(2-methylpropylamino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]pyridine-2-carbonitrile is CC(C)(C)CNc1nc(Nc2ccnc(C(F)(F)F)c2)nc(-c2cccc(C(F)(F)F)n2)n1.CC(C)(C)CNc1nc(Nc2cncc(F)c2)nc(-c2cccc(C(F)(F)F)n2)n1.CC(C)CNc1nc(Nc2ccnc(C#N)c2)nc(-c2cccc(C(F)(F)F)n2)n1.Fc1ccc(Nc2nc(NC3CCC3)nc(-c3cccc(Cl)n3)n2)cn1.

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

The InChIKey is RDQQXINSOPJJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F6N7.C19H19F4N7.C19H17F3N8.C17H15ClFN7/c1-18(2,3)10-28-16-31-15(12-5-4-6-13(30-12)19(21,22)23)32-17(33-16)29-11-7-8-27-14(9-11)20(24,25)26;1-18(2,3)10-25-16-28-15(13-5-4-6-14(27-13)19(21,22)23)29-17(30-16)26-12-7-11(20)8-24-9-12;1-11(2)10-25-17-28-16(14-4-3-5-15(27-14)19(20,21)22)29-18(30-17)26-12-6-7-24-13(8-12)9-23;18-13-6-2-5-12(23-13)15-24-16(21-10-3-1-4-10)26-17(25-15)22-11-7-8-14(19)20-9-11/h4-9H,10H2,1-3H3,(H2,27,28,29,31,32,33);4-9H,10H2,1-3H3,(H2,25,26,28,29,30);3-8,11H,10H2,1-2H3,(H2,24,25,26,28,29,30);2,5-10H,1,3-4H2,(H2,21,22,24,25,26).

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

6-(6-chloro-2-pyridinyl)-2-N-cyclobutyl-4-N-(6-fluoro-3-pyridinyl)-1,3,5-triazine-2,4-diamine;4-N-(2,2-dimethylpropyl)-2-N-(5-fluoro-3-pyridinyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(2,2-dimethylpropyl)-2-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-[[4-(2-methylpropylamino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]pyridine-2-carbonitrile has a molecular weight of 1679.01 g/mol, XLogP of 18.12, 21 rotatable bonds, 8 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(6-chloro-2-pyridinyl)-2-N-cyclobutyl-4-N-(6-fluoro-3-pyridinyl)-1,3,5-triazine-2,4-diamine;4-N-(2,2-dimethylpropyl)-2-N-(5-fluoro-3-pyridinyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(2,2-dimethylpropyl)-2-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-[[4-(2-methylpropylamino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]pyridine-2-carbonitrile is sourced from PubChem (CID 160596120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 160596120 — identifiers, structure, computed properties (public domain)

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