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

C106H99ClF14N38 — CID 161224804

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

6-(6-chloro-2-pyridinyl)-4-N-(2,2-dimethylpropyl)-2-N-(2-fluoro-4-pyridinyl)-1,3,5-triazine-2,4-diamine;6-(2-fluorophenyl)-4-N-(2-fluoro-4-pyridinyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-(2-fluorophenyl)-4-N-(5-fluoro-3-pyridinyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;4-[[4-(2-fluorophenyl)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]pyridine-2-carbonitrile;6-(2-fluorophenyl)-2-N-propan-2-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;6-(2-fluorophenyl)-2-N-propan-2-yl-4-N-[5-(trifluoromethyl)-3-pyridinyl]-1,3,5-triazine-2,4-diamine (PubChem CID 161224804) has the molecular formula C106H99ClF14N38 and a molecular weight of 2206.65 g/mol. Its IUPAC name is 6-(6-chloro-2-pyridinyl)-4-N-(2,2-dimethylpropyl)-2-N-(2-fluoro-4-pyridinyl)-1,3,5-triazine-2,4-diamine;6-(2-fluorophenyl)-4-N-(2-fluoro-4-pyridinyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-(2-fluorophenyl)-4-N-(5-fluoro-3-pyridinyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;4-[[4-(2-fluorophenyl)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]pyridine-2-carbonitrile;6-(2-fluorophenyl)-2-N-propan-2-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;6-(2-fluorophenyl)-2-N-propan-2-yl-4-N-[5-(trifluoromethyl)-3-pyridinyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

• Compound Name: 6-(6-chloro-2-pyridinyl)-4-N-(2,2-dimethylpropyl)-2-N-(2-fluoro-4-pyridinyl)-1,3,5-triazine-2,4-diamine;6-(2-fluorophenyl)-4-N-(2-fluoro-4-pyridinyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-(2-fluorophenyl)-4-N-(5-fluoro-3-pyridinyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;4-[[4-(2-fluorophenyl)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]pyridine-2-carbonitrile;6-(2-fluorophenyl)-2-N-propan-2-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;6-(2-fluorophenyl)-2-N-propan-2-yl-4-N-[5-(trifluoromethyl)-3-pyridinyl]-1,3,5-triazine-2,4-diamine
• PubChem CID: 161224804
• Molecular Formula: C106H99ClF14N38
• Molecular Weight: 2206.65 g/mol
• Exact Mass: 2204.84
• IUPAC Name: 6-(6-chloro-2-pyridinyl)-4-N-(2,2-dimethylpropyl)-2-N-(2-fluoro-4-pyridinyl)-1,3,5-triazine-2,4-diamine;6-(2-fluorophenyl)-4-N-(2-fluoro-4-pyridinyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-(2-fluorophenyl)-4-N-(5-fluoro-3-pyridinyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;4-[[4-(2-fluorophenyl)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]pyridine-2-carbonitrile;6-(2-fluorophenyl)-2-N-propan-2-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;6-(2-fluorophenyl)-2-N-propan-2-yl-4-N-[5-(trifluoromethyl)-3-pyridinyl]-1,3,5-triazine-2,4-diamine
• SMILES: CC(C)(C)CNc1nc(Nc2ccnc(F)c2)nc(-c2cccc(Cl)n2)n1.CC(C)Nc1nc(Nc2ccnc(C#N)c2)nc(-c2ccccc2F)n1.CC(C)Nc1nc(Nc2ccnc(C(F)(F)F)c2)nc(-c2ccccc2F)n1.CC(C)Nc1nc(Nc2ccnc(F)c2)nc(-c2ccccc2F)n1.CC(C)Nc1nc(Nc2cncc(C(F)(F)F)c2)nc(-c2ccccc2F)n1.CC(C)Nc1nc(Nc2cncc(F)c2)nc(-c2ccccc2F)n1
• InChI: InChI=1S/C18H19ClFN7.2C18H16F4N6.C18H16FN7.2C17H16F2N6/c1-18(2,3)10-22-16-25-15(12-5-4-6-13(19)24-12)26-17(27-16)23-11-7-8-21-14(20)9-11;1-10(2)24-16-26-15(13-5-3-4-6-14(13)19)27-17(28-16)25-12-7-11(8-23-9-12)18(20,21)22;1-10(2)24-16-26-15(12-5-3-4-6-13(12)19)27-17(28-16)25-11-7-8-23-14(9-11)18(20,21)22;1-11(2)22-17-24-16(14-5-3-4-6-15(14)19)25-18(26-17)23-12-7-8-21-13(9-12)10-20;1-10(2)21-16-23-15(13-5-3-4-6-14(13)19)24-17(25-16)22-12-7-11(18)8-20-9-12;1-10(2)21-16-23-15(12-5-3-4-6-13(12)18)24-17(25-16)22-11-7-8-20-14(19)9-11/h4-9H,10H2,1-3H3,(H2,21,22,23,25,26,27);3-10H,1-2H3,(H2,24,25,26,27,28);3-10H,1-2H3,(H2,23,24,25,26,27,28);3-9,11H,1-2H3,(H2,21,22,23,24,25,26);3-10H,1-2H3,(H2,21,22,23,24,25);3-10H,1-2H3,(H2,20,21,22,23,24,25)
• InChIKey: UXZAGKBTPINMER-UHFFFAOYSA-N
• XLogP: 24.69
• TPSA: 490.40 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 38
• Rotatable Bonds: 30
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2206.65
LogP ≤ 5	24.69
H-Bond Donors ≤ 5	12
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 6-(6-chloro-2-pyridinyl)-4-N-(2,2-dimethylpropyl)-2-N-(2-fluoro-4-pyridinyl)-1,3,5-triazine-2,4-diamine;6-(2-fluorophenyl)-4-N-(2-fluoro-4-pyridinyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-(2-fluorophenyl)-4-N-(5-fluoro-3-pyridinyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;4-[[4-(2-fluorophenyl)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]pyridine-2-carbonitrile;6-(2-fluorophenyl)-2-N-propan-2-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;6-(2-fluorophenyl)-2-N-propan-2-yl-4-N-[5-(trifluoromethyl)-3-pyridinyl]-1,3,5-triazine-2,4-diamine?

The IUPAC name of 6-(6-chloro-2-pyridinyl)-4-N-(2,2-dimethylpropyl)-2-N-(2-fluoro-4-pyridinyl)-1,3,5-triazine-2,4-diamine;6-(2-fluorophenyl)-4-N-(2-fluoro-4-pyridinyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-(2-fluorophenyl)-4-N-(5-fluoro-3-pyridinyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;4-[[4-(2-fluorophenyl)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]pyridine-2-carbonitrile;6-(2-fluorophenyl)-2-N-propan-2-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;6-(2-fluorophenyl)-2-N-propan-2-yl-4-N-[5-(trifluoromethyl)-3-pyridinyl]-1,3,5-triazine-2,4-diamine (CID 161224804) is 6-(6-chloro-2-pyridinyl)-4-N-(2,2-dimethylpropyl)-2-N-(2-fluoro-4-pyridinyl)-1,3,5-triazine-2,4-diamine;6-(2-fluorophenyl)-4-N-(2-fluoro-4-pyridinyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-(2-fluorophenyl)-4-N-(5-fluoro-3-pyridinyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;4-[[4-(2-fluorophenyl)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]pyridine-2-carbonitrile;6-(2-fluorophenyl)-2-N-propan-2-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;6-(2-fluorophenyl)-2-N-propan-2-yl-4-N-[5-(trifluoromethyl)-3-pyridinyl]-1,3,5-triazine-2,4-diamine.

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

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

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

The InChIKey is UXZAGKBTPINMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFN7.2C18H16F4N6.C18H16FN7.2C17H16F2N6/c1-18(2,3)10-22-16-25-15(12-5-4-6-13(19)24-12)26-17(27-16)23-11-7-8-21-14(20)9-11;1-10(2)24-16-26-15(13-5-3-4-6-14(13)19)27-17(28-16)25-12-7-11(8-23-9-12)18(20,21)22;1-10(2)24-16-26-15(12-5-3-4-6-13(12)19)27-17(28-16)25-11-7-8-23-14(9-11)18(20,21)22;1-11(2)22-17-24-16(14-5-3-4-6-15(14)19)25-18(26-17)23-12-7-8-21-13(9-12)10-20;1-10(2)21-16-23-15(13-5-3-4-6-14(13)19)24-17(25-16)22-12-7-11(18)8-20-9-12;1-10(2)21-16-23-15(12-5-3-4-6-13(12)18)24-17(25-16)22-11-7-8-20-14(19)9-11/h4-9H,10H2,1-3H3,(H2,21,22,23,25,26,27);3-10H,1-2H3,(H2,24,25,26,27,28);3-10H,1-2H3,(H2,23,24,25,26,27,28);3-9,11H,1-2H3,(H2,21,22,23,24,25,26);3-10H,1-2H3,(H2,21,22,23,24,25);3-10H,1-2H3,(H2,20,21,22,23,24,25).

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

6-(6-chloro-2-pyridinyl)-4-N-(2,2-dimethylpropyl)-2-N-(2-fluoro-4-pyridinyl)-1,3,5-triazine-2,4-diamine;6-(2-fluorophenyl)-4-N-(2-fluoro-4-pyridinyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-(2-fluorophenyl)-4-N-(5-fluoro-3-pyridinyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;4-[[4-(2-fluorophenyl)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]pyridine-2-carbonitrile;6-(2-fluorophenyl)-2-N-propan-2-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;6-(2-fluorophenyl)-2-N-propan-2-yl-4-N-[5-(trifluoromethyl)-3-pyridinyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 2206.65 g/mol, XLogP of 24.69, 30 rotatable bonds, 12 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(6-chloro-2-pyridinyl)-4-N-(2,2-dimethylpropyl)-2-N-(2-fluoro-4-pyridinyl)-1,3,5-triazine-2,4-diamine;6-(2-fluorophenyl)-4-N-(2-fluoro-4-pyridinyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-(2-fluorophenyl)-4-N-(5-fluoro-3-pyridinyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;4-[[4-(2-fluorophenyl)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]pyridine-2-carbonitrile;6-(2-fluorophenyl)-2-N-propan-2-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;6-(2-fluorophenyl)-2-N-propan-2-yl-4-N-[5-(trifluoromethyl)-3-pyridinyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 161224804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).