6-(6-chloro-2-pyridinyl)-4-N-[2-(1,1-difluoroethyl)-4-pyridinyl]-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;2-[4-[[4-(6-chloro-2-pyridinyl)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-2-pyridinyl]propan-2-ol;6-(6-chloro-2-pyridinyl)-2-N-propan-2-yl-4-N-(3-propylsulfonylphenyl)-1,3,5-triazine-2,4-diamine;4-N-(3,5-difluorophenyl)-2-N-(2-methylcyclopropyl)-6-pyridin-2-yl-1,3,5-triazine-2,4-diamine;4-N-(2,2-dimethylpropyl)-6-pyridin-2-yl-2-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-(2-methylcyclopropyl)-6-pyridin-2-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine

C112H115Cl3F10N40O3S — CID 159022578

About 6-(6-chloro-2-pyridinyl)-4-N-[2-(1,1-difluoroethyl)-4-pyridinyl]-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;2-[4-[[4-(6-chloro-2-pyridinyl)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-2-pyridinyl]propan-2-ol;6-(6-chloro-2-pyridinyl)-2-N-propan-2-yl-4-N-(3-propylsulfonylphenyl)-1,3,5-triazine-2,4-diamine;4-N-(3,5-difluorophenyl)-2-N-(2-methylcyclopropyl)-6-pyridin-2-yl-1,3,5-triazine-2,4-diamine;4-N-(2,2-dimethylpropyl)-6-pyridin-2-yl-2-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-(2-methylcyclopropyl)-6-pyridin-2-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine

6-(6-chloro-2-pyridinyl)-4-N-[2-(1,1-difluoroethyl)-4-pyridinyl]-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;2-[4-[[4-(6-chloro-2-pyridinyl)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-2-pyridinyl]propan-2-ol;6-(6-chloro-2-pyridinyl)-2-N-propan-2-yl-4-N-(3-propylsulfonylphenyl)-1,3,5-triazine-2,4-diamine;4-N-(3,5-difluorophenyl)-2-N-(2-methylcyclopropyl)-6-pyridin-2-yl-1,3,5-triazine-2,4-diamine;4-N-(2,2-dimethylpropyl)-6-pyridin-2-yl-2-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-(2-methylcyclopropyl)-6-pyridin-2-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine (PubChem CID 159022578) has the molecular formula C112H115Cl3F10N40O3S and a molecular weight of 2397.83 g/mol. Its IUPAC name is 6-(6-chloro-2-pyridinyl)-4-N-[2-(1,1-difluoroethyl)-4-pyridinyl]-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;2-[4-[[4-(6-chloro-2-pyridinyl)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-2-pyridinyl]propan-2-ol;6-(6-chloro-2-pyridinyl)-2-N-propan-2-yl-4-N-(3-propylsulfonylphenyl)-1,3,5-triazine-2,4-diamine;4-N-(3,5-difluorophenyl)-2-N-(2-methylcyclopropyl)-6-pyridin-2-yl-1,3,5-triazine-2,4-diamine;4-N-(2,2-dimethylpropyl)-6-pyridin-2-yl-2-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-(2-methylcyclopropyl)-6-pyridin-2-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

• Compound Name: 6-(6-chloro-2-pyridinyl)-4-N-[2-(1,1-difluoroethyl)-4-pyridinyl]-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;2-[4-[[4-(6-chloro-2-pyridinyl)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-2-pyridinyl]propan-2-ol;6-(6-chloro-2-pyridinyl)-2-N-propan-2-yl-4-N-(3-propylsulfonylphenyl)-1,3,5-triazine-2,4-diamine;4-N-(3,5-difluorophenyl)-2-N-(2-methylcyclopropyl)-6-pyridin-2-yl-1,3,5-triazine-2,4-diamine;4-N-(2,2-dimethylpropyl)-6-pyridin-2-yl-2-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-(2-methylcyclopropyl)-6-pyridin-2-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine
• PubChem CID: 159022578
• Molecular Formula: C112H115Cl3F10N40O3S
• Molecular Weight: 2397.83 g/mol
• Exact Mass: 2394.87
• IUPAC Name: 6-(6-chloro-2-pyridinyl)-4-N-[2-(1,1-difluoroethyl)-4-pyridinyl]-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;2-[4-[[4-(6-chloro-2-pyridinyl)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-2-pyridinyl]propan-2-ol;6-(6-chloro-2-pyridinyl)-2-N-propan-2-yl-4-N-(3-propylsulfonylphenyl)-1,3,5-triazine-2,4-diamine;4-N-(3,5-difluorophenyl)-2-N-(2-methylcyclopropyl)-6-pyridin-2-yl-1,3,5-triazine-2,4-diamine;4-N-(2,2-dimethylpropyl)-6-pyridin-2-yl-2-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-(2-methylcyclopropyl)-6-pyridin-2-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine
• SMILES: CC(C)(C)CNc1nc(Nc2ccnc(C(F)(F)F)c2)nc(-c2ccccn2)n1.CC(C)Nc1nc(Nc2ccnc(C(C)(C)O)c2)nc(-c2cccc(Cl)n2)n1.CC(C)Nc1nc(Nc2ccnc(C(C)(F)F)c2)nc(-c2cccc(Cl)n2)n1.CC1CC1Nc1nc(Nc2cc(F)cc(F)c2)nc(-c2ccccn2)n1.CC1CC1Nc1nc(Nc2ccnc(C(F)(F)F)c2)nc(-c2ccccn2)n1.CCCS(=O)(=O)c1cccc(Nc2nc(NC(C)C)nc(-c3cccc(Cl)n3)n2)c1
• InChI: InChI=1S/C20H23ClN6O2S.C19H22ClN7O.C19H20F3N7.C18H18ClF2N7.C18H16F3N7.C18H16F2N6/c1-4-11-30(28,29)15-8-5-7-14(12-15)23-20-26-18(16-9-6-10-17(21)24-16)25-19(27-20)22-13(2)3;1-11(2)22-17-25-16(13-6-5-7-15(20)24-13)26-18(27-17)23-12-8-9-21-14(10-12)19(3,4)28;1-18(2,3)11-25-16-27-15(13-6-4-5-8-23-13)28-17(29-16)26-12-7-9-24-14(10-12)19(20,21)22;1-10(2)23-16-26-15(12-5-4-6-14(19)25-12)27-17(28-16)24-11-7-8-22-13(9-11)18(3,20)21;1-10-8-13(10)25-17-27-15(12-4-2-3-6-22-12)26-16(28-17)24-11-5-7-23-14(9-11)18(19,20)21;1-10-6-15(10)23-18-25-16(14-4-2-3-5-21-14)24-17(26-18)22-13-8-11(19)7-12(20)9-13/h5-10,12-13H,4,11H2,1-3H3,(H2,22,23,25,26,27);5-11,28H,1-4H3,(H2,21,22,23,25,26,27);4-10H,11H2,1-3H3,(H2,24,25,26,27,28,29);4-10H,1-3H3,(H2,22,23,24,26,27,28);2-7,9-10,13H,8H2,1H3,(H2,23,24,25,26,27,28);2-5,7-10,15H,6H2,1H3,(H2,22,23,24,25,26)
• InChIKey: JTWPFIOUBJKGHT-UHFFFAOYSA-N
• XLogP: 25.00
• TPSA: 559.65 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 43
• Rotatable Bonds: 35
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2397.83
LogP ≤ 5	25.00
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	43

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)-4-N-[2-(1,1-difluoroethyl)-4-pyridinyl]-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;2-[4-[[4-(6-chloro-2-pyridinyl)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-2-pyridinyl]propan-2-ol;6-(6-chloro-2-pyridinyl)-2-N-propan-2-yl-4-N-(3-propylsulfonylphenyl)-1,3,5-triazine-2,4-diamine;4-N-(3,5-difluorophenyl)-2-N-(2-methylcyclopropyl)-6-pyridin-2-yl-1,3,5-triazine-2,4-diamine;4-N-(2,2-dimethylpropyl)-6-pyridin-2-yl-2-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-(2-methylcyclopropyl)-6-pyridin-2-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine?

The IUPAC name of 6-(6-chloro-2-pyridinyl)-4-N-[2-(1,1-difluoroethyl)-4-pyridinyl]-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;2-[4-[[4-(6-chloro-2-pyridinyl)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-2-pyridinyl]propan-2-ol;6-(6-chloro-2-pyridinyl)-2-N-propan-2-yl-4-N-(3-propylsulfonylphenyl)-1,3,5-triazine-2,4-diamine;4-N-(3,5-difluorophenyl)-2-N-(2-methylcyclopropyl)-6-pyridin-2-yl-1,3,5-triazine-2,4-diamine;4-N-(2,2-dimethylpropyl)-6-pyridin-2-yl-2-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-(2-methylcyclopropyl)-6-pyridin-2-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine (CID 159022578) is 6-(6-chloro-2-pyridinyl)-4-N-[2-(1,1-difluoroethyl)-4-pyridinyl]-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;2-[4-[[4-(6-chloro-2-pyridinyl)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-2-pyridinyl]propan-2-ol;6-(6-chloro-2-pyridinyl)-2-N-propan-2-yl-4-N-(3-propylsulfonylphenyl)-1,3,5-triazine-2,4-diamine;4-N-(3,5-difluorophenyl)-2-N-(2-methylcyclopropyl)-6-pyridin-2-yl-1,3,5-triazine-2,4-diamine;4-N-(2,2-dimethylpropyl)-6-pyridin-2-yl-2-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-(2-methylcyclopropyl)-6-pyridin-2-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine.

What is the SMILES notation for 6-(6-chloro-2-pyridinyl)-4-N-[2-(1,1-difluoroethyl)-4-pyridinyl]-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;2-[4-[[4-(6-chloro-2-pyridinyl)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-2-pyridinyl]propan-2-ol;6-(6-chloro-2-pyridinyl)-2-N-propan-2-yl-4-N-(3-propylsulfonylphenyl)-1,3,5-triazine-2,4-diamine;4-N-(3,5-difluorophenyl)-2-N-(2-methylcyclopropyl)-6-pyridin-2-yl-1,3,5-triazine-2,4-diamine;4-N-(2,2-dimethylpropyl)-6-pyridin-2-yl-2-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-(2-methylcyclopropyl)-6-pyridin-2-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine?

The canonical SMILES for 6-(6-chloro-2-pyridinyl)-4-N-[2-(1,1-difluoroethyl)-4-pyridinyl]-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;2-[4-[[4-(6-chloro-2-pyridinyl)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-2-pyridinyl]propan-2-ol;6-(6-chloro-2-pyridinyl)-2-N-propan-2-yl-4-N-(3-propylsulfonylphenyl)-1,3,5-triazine-2,4-diamine;4-N-(3,5-difluorophenyl)-2-N-(2-methylcyclopropyl)-6-pyridin-2-yl-1,3,5-triazine-2,4-diamine;4-N-(2,2-dimethylpropyl)-6-pyridin-2-yl-2-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-(2-methylcyclopropyl)-6-pyridin-2-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine is CC(C)(C)CNc1nc(Nc2ccnc(C(F)(F)F)c2)nc(-c2ccccn2)n1.CC(C)Nc1nc(Nc2ccnc(C(C)(C)O)c2)nc(-c2cccc(Cl)n2)n1.CC(C)Nc1nc(Nc2ccnc(C(C)(F)F)c2)nc(-c2cccc(Cl)n2)n1.CC1CC1Nc1nc(Nc2cc(F)cc(F)c2)nc(-c2ccccn2)n1.CC1CC1Nc1nc(Nc2ccnc(C(F)(F)F)c2)nc(-c2ccccn2)n1.CCCS(=O)(=O)c1cccc(Nc2nc(NC(C)C)nc(-c3cccc(Cl)n3)n2)c1.

What is the InChIKey of 6-(6-chloro-2-pyridinyl)-4-N-[2-(1,1-difluoroethyl)-4-pyridinyl]-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;2-[4-[[4-(6-chloro-2-pyridinyl)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-2-pyridinyl]propan-2-ol;6-(6-chloro-2-pyridinyl)-2-N-propan-2-yl-4-N-(3-propylsulfonylphenyl)-1,3,5-triazine-2,4-diamine;4-N-(3,5-difluorophenyl)-2-N-(2-methylcyclopropyl)-6-pyridin-2-yl-1,3,5-triazine-2,4-diamine;4-N-(2,2-dimethylpropyl)-6-pyridin-2-yl-2-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-(2-methylcyclopropyl)-6-pyridin-2-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine?

The InChIKey is JTWPFIOUBJKGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN6O2S.C19H22ClN7O.C19H20F3N7.C18H18ClF2N7.C18H16F3N7.C18H16F2N6/c1-4-11-30(28,29)15-8-5-7-14(12-15)23-20-26-18(16-9-6-10-17(21)24-16)25-19(27-20)22-13(2)3;1-11(2)22-17-25-16(13-6-5-7-15(20)24-13)26-18(27-17)23-12-8-9-21-14(10-12)19(3,4)28;1-18(2,3)11-25-16-27-15(13-6-4-5-8-23-13)28-17(29-16)26-12-7-9-24-14(10-12)19(20,21)22;1-10(2)23-16-26-15(12-5-4-6-14(19)25-12)27-17(28-16)24-11-7-8-22-13(9-11)18(3,20)21;1-10-8-13(10)25-17-27-15(12-4-2-3-6-22-12)26-16(28-17)24-11-5-7-23-14(9-11)18(19,20)21;1-10-6-15(10)23-18-25-16(14-4-2-3-5-21-14)24-17(26-18)22-13-8-11(19)7-12(20)9-13/h5-10,12-13H,4,11H2,1-3H3,(H2,22,23,25,26,27);5-11,28H,1-4H3,(H2,21,22,23,25,26,27);4-10H,11H2,1-3H3,(H2,24,25,26,27,28,29);4-10H,1-3H3,(H2,22,23,24,26,27,28);2-7,9-10,13H,8H2,1H3,(H2,23,24,25,26,27,28);2-5,7-10,15H,6H2,1H3,(H2,22,23,24,25,26).

What are the key properties of 6-(6-chloro-2-pyridinyl)-4-N-[2-(1,1-difluoroethyl)-4-pyridinyl]-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;2-[4-[[4-(6-chloro-2-pyridinyl)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-2-pyridinyl]propan-2-ol;6-(6-chloro-2-pyridinyl)-2-N-propan-2-yl-4-N-(3-propylsulfonylphenyl)-1,3,5-triazine-2,4-diamine;4-N-(3,5-difluorophenyl)-2-N-(2-methylcyclopropyl)-6-pyridin-2-yl-1,3,5-triazine-2,4-diamine;4-N-(2,2-dimethylpropyl)-6-pyridin-2-yl-2-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-(2-methylcyclopropyl)-6-pyridin-2-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine?

6-(6-chloro-2-pyridinyl)-4-N-[2-(1,1-difluoroethyl)-4-pyridinyl]-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;2-[4-[[4-(6-chloro-2-pyridinyl)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-2-pyridinyl]propan-2-ol;6-(6-chloro-2-pyridinyl)-2-N-propan-2-yl-4-N-(3-propylsulfonylphenyl)-1,3,5-triazine-2,4-diamine;4-N-(3,5-difluorophenyl)-2-N-(2-methylcyclopropyl)-6-pyridin-2-yl-1,3,5-triazine-2,4-diamine;4-N-(2,2-dimethylpropyl)-6-pyridin-2-yl-2-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-(2-methylcyclopropyl)-6-pyridin-2-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 2397.83 g/mol, XLogP of 25.00, 35 rotatable bonds, 13 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(6-chloro-2-pyridinyl)-4-N-[2-(1,1-difluoroethyl)-4-pyridinyl]-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;2-[4-[[4-(6-chloro-2-pyridinyl)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-2-pyridinyl]propan-2-ol;6-(6-chloro-2-pyridinyl)-2-N-propan-2-yl-4-N-(3-propylsulfonylphenyl)-1,3,5-triazine-2,4-diamine;4-N-(3,5-difluorophenyl)-2-N-(2-methylcyclopropyl)-6-pyridin-2-yl-1,3,5-triazine-2,4-diamine;4-N-(2,2-dimethylpropyl)-6-pyridin-2-yl-2-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-(2-methylcyclopropyl)-6-pyridin-2-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 159022578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).