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

C103H95Cl3F14N42 — CID 159814563

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

6-(6-chloro-2-pyridinyl)-4-N-(2-fluoro-4-pyridinyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-4-N-(5-fluoro-3-pyridinyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;5-[[4-(6-chloro-2-pyridinyl)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]pyridine-3-carbonitrile;4-N-(2,2-dimethylpropyl)-2-N-(6-fluoro-3-pyridinyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;6-(2-fluorophenyl)-4-N-(6-fluoro-3-pyridinyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;2-N-propan-2-yl-4-N-[5-(trifluoromethyl)-3-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine (PubChem CID 159814563) has the molecular formula C103H95Cl3F14N42 and a molecular weight of 2293.52 g/mol. Its IUPAC name is 6-(6-chloro-2-pyridinyl)-4-N-(2-fluoro-4-pyridinyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-4-N-(5-fluoro-3-pyridinyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;5-[[4-(6-chloro-2-pyridinyl)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]pyridine-3-carbonitrile;4-N-(2,2-dimethylpropyl)-2-N-(6-fluoro-3-pyridinyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;6-(2-fluorophenyl)-4-N-(6-fluoro-3-pyridinyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;2-N-propan-2-yl-4-N-[5-(trifluoromethyl)-3-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

• Compound Name: 6-(6-chloro-2-pyridinyl)-4-N-(2-fluoro-4-pyridinyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-4-N-(5-fluoro-3-pyridinyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;5-[[4-(6-chloro-2-pyridinyl)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]pyridine-3-carbonitrile;4-N-(2,2-dimethylpropyl)-2-N-(6-fluoro-3-pyridinyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;6-(2-fluorophenyl)-4-N-(6-fluoro-3-pyridinyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;2-N-propan-2-yl-4-N-[5-(trifluoromethyl)-3-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine
• PubChem CID: 159814563
• Molecular Formula: C103H95Cl3F14N42
• Molecular Weight: 2293.52 g/mol
• Exact Mass: 2290.76
• IUPAC Name: 6-(6-chloro-2-pyridinyl)-4-N-(2-fluoro-4-pyridinyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-4-N-(5-fluoro-3-pyridinyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;5-[[4-(6-chloro-2-pyridinyl)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]pyridine-3-carbonitrile;4-N-(2,2-dimethylpropyl)-2-N-(6-fluoro-3-pyridinyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;6-(2-fluorophenyl)-4-N-(6-fluoro-3-pyridinyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;2-N-propan-2-yl-4-N-[5-(trifluoromethyl)-3-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine
• SMILES: CC(C)(C)CNc1nc(Nc2ccc(F)nc2)nc(-c2cccc(C(F)(F)F)n2)n1.CC(C)Nc1nc(Nc2ccc(F)nc2)nc(-c2ccccc2F)n1.CC(C)Nc1nc(Nc2ccnc(F)c2)nc(-c2cccc(Cl)n2)n1.CC(C)Nc1nc(Nc2cncc(C#N)c2)nc(-c2cccc(Cl)n2)n1.CC(C)Nc1nc(Nc2cncc(C(F)(F)F)c2)nc(-c2cccc(C(F)(F)F)n2)n1.CC(C)Nc1nc(Nc2cncc(F)c2)nc(-c2cccc(Cl)n2)n1
• InChI: InChI=1S/C19H19F4N7.C18H15F6N7.C17H15ClN8.C17H16F2N6.2C16H15ClFN7/c1-18(2,3)10-25-16-28-15(12-5-4-6-13(27-12)19(21,22)23)29-17(30-16)26-11-7-8-14(20)24-9-11;1-9(2)26-15-29-14(12-4-3-5-13(28-12)18(22,23)24)30-16(31-15)27-11-6-10(7-25-8-11)17(19,20)21;1-10(2)21-16-24-15(13-4-3-5-14(18)23-13)25-17(26-16)22-12-6-11(7-19)8-20-9-12;1-10(2)21-16-23-15(12-5-3-4-6-13(12)18)24-17(25-16)22-11-7-8-14(19)20-9-11;1-9(2)20-15-23-14(12-4-3-5-13(17)22-12)24-16(25-15)21-11-6-10(18)7-19-8-11;1-9(2)20-15-23-14(11-4-3-5-12(17)22-11)24-16(25-15)21-10-6-7-19-13(18)8-10/h4-9H,10H2,1-3H3,(H2,25,26,28,29,30);3-9H,1-2H3,(H2,26,27,29,30,31);3-6,8-10H,1-2H3,(H2,21,22,24,25,26);3-10H,1-2H3,(H2,21,22,23,24,25);3-9H,1-2H3,(H2,20,21,23,24,25);3-9H,1-2H3,(H2,19,20,21,23,24,25)
• InChIKey: NLLHRWABKFVDDI-UHFFFAOYSA-N
• XLogP: 24.18
• TPSA: 541.96 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 42
• Rotatable Bonds: 30
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2293.52
LogP ≤ 5	24.18
H-Bond Donors ≤ 5	12
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)-4-N-(2-fluoro-4-pyridinyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-4-N-(5-fluoro-3-pyridinyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;5-[[4-(6-chloro-2-pyridinyl)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]pyridine-3-carbonitrile;4-N-(2,2-dimethylpropyl)-2-N-(6-fluoro-3-pyridinyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;6-(2-fluorophenyl)-4-N-(6-fluoro-3-pyridinyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;2-N-propan-2-yl-4-N-[5-(trifluoromethyl)-3-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine?

The IUPAC name of 6-(6-chloro-2-pyridinyl)-4-N-(2-fluoro-4-pyridinyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-4-N-(5-fluoro-3-pyridinyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;5-[[4-(6-chloro-2-pyridinyl)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]pyridine-3-carbonitrile;4-N-(2,2-dimethylpropyl)-2-N-(6-fluoro-3-pyridinyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;6-(2-fluorophenyl)-4-N-(6-fluoro-3-pyridinyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;2-N-propan-2-yl-4-N-[5-(trifluoromethyl)-3-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine (CID 159814563) is 6-(6-chloro-2-pyridinyl)-4-N-(2-fluoro-4-pyridinyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-4-N-(5-fluoro-3-pyridinyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;5-[[4-(6-chloro-2-pyridinyl)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]pyridine-3-carbonitrile;4-N-(2,2-dimethylpropyl)-2-N-(6-fluoro-3-pyridinyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;6-(2-fluorophenyl)-4-N-(6-fluoro-3-pyridinyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;2-N-propan-2-yl-4-N-[5-(trifluoromethyl)-3-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine.

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

The canonical SMILES for 6-(6-chloro-2-pyridinyl)-4-N-(2-fluoro-4-pyridinyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-4-N-(5-fluoro-3-pyridinyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;5-[[4-(6-chloro-2-pyridinyl)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]pyridine-3-carbonitrile;4-N-(2,2-dimethylpropyl)-2-N-(6-fluoro-3-pyridinyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;6-(2-fluorophenyl)-4-N-(6-fluoro-3-pyridinyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;2-N-propan-2-yl-4-N-[5-(trifluoromethyl)-3-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine is CC(C)(C)CNc1nc(Nc2ccc(F)nc2)nc(-c2cccc(C(F)(F)F)n2)n1.CC(C)Nc1nc(Nc2ccc(F)nc2)nc(-c2ccccc2F)n1.CC(C)Nc1nc(Nc2ccnc(F)c2)nc(-c2cccc(Cl)n2)n1.CC(C)Nc1nc(Nc2cncc(C#N)c2)nc(-c2cccc(Cl)n2)n1.CC(C)Nc1nc(Nc2cncc(C(F)(F)F)c2)nc(-c2cccc(C(F)(F)F)n2)n1.CC(C)Nc1nc(Nc2cncc(F)c2)nc(-c2cccc(Cl)n2)n1.

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

The InChIKey is NLLHRWABKFVDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F4N7.C18H15F6N7.C17H15ClN8.C17H16F2N6.2C16H15ClFN7/c1-18(2,3)10-25-16-28-15(12-5-4-6-13(27-12)19(21,22)23)29-17(30-16)26-11-7-8-14(20)24-9-11;1-9(2)26-15-29-14(12-4-3-5-13(28-12)18(22,23)24)30-16(31-15)27-11-6-10(7-25-8-11)17(19,20)21;1-10(2)21-16-24-15(13-4-3-5-14(18)23-13)25-17(26-16)22-12-6-11(7-19)8-20-9-12;1-10(2)21-16-23-15(12-5-3-4-6-13(12)18)24-17(25-16)22-11-7-8-14(19)20-9-11;1-9(2)20-15-23-14(12-4-3-5-13(17)22-12)24-16(25-15)21-11-6-10(18)7-19-8-11;1-9(2)20-15-23-14(11-4-3-5-12(17)22-11)24-16(25-15)21-10-6-7-19-13(18)8-10/h4-9H,10H2,1-3H3,(H2,25,26,28,29,30);3-9H,1-2H3,(H2,26,27,29,30,31);3-6,8-10H,1-2H3,(H2,21,22,24,25,26);3-10H,1-2H3,(H2,21,22,23,24,25);3-9H,1-2H3,(H2,20,21,23,24,25);3-9H,1-2H3,(H2,19,20,21,23,24,25).

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

6-(6-chloro-2-pyridinyl)-4-N-(2-fluoro-4-pyridinyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-4-N-(5-fluoro-3-pyridinyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;5-[[4-(6-chloro-2-pyridinyl)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]pyridine-3-carbonitrile;4-N-(2,2-dimethylpropyl)-2-N-(6-fluoro-3-pyridinyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;6-(2-fluorophenyl)-4-N-(6-fluoro-3-pyridinyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;2-N-propan-2-yl-4-N-[5-(trifluoromethyl)-3-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 2293.52 g/mol, XLogP of 24.18, 30 rotatable bonds, 12 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(6-chloro-2-pyridinyl)-4-N-(2-fluoro-4-pyridinyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-4-N-(5-fluoro-3-pyridinyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;5-[[4-(6-chloro-2-pyridinyl)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]pyridine-3-carbonitrile;4-N-(2,2-dimethylpropyl)-2-N-(6-fluoro-3-pyridinyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;6-(2-fluorophenyl)-4-N-(6-fluoro-3-pyridinyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;2-N-propan-2-yl-4-N-[5-(trifluoromethyl)-3-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 159814563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).