2-N,4-N-bis(3,3-difluorocyclopentyl)-6-[6-(1,1-difluoroethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N,4-N-bis[(1R)-3,3-difluorocyclopentyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-2-N,4-N-bis(1-cyclopropylpropyl)-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-2-N,4-N-bis[(1S)-3,3-difluorocyclopentyl]-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-2-N,4-N-bis(3,3-difluorocyclopentyl)-1,3,5-triazine-2,4-diamine;6-(2-methyl-1,3-thiazol-4-yl)-2-N,4-N-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine

C108H120Cl3F27N36S — CID 162137764

About 2-N,4-N-bis(3,3-difluorocyclopentyl)-6-[6-(1,1-difluoroethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N,4-N-bis[(1R)-3,3-difluorocyclopentyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-2-N,4-N-bis(1-cyclopropylpropyl)-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-2-N,4-N-bis[(1S)-3,3-difluorocyclopentyl]-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-2-N,4-N-bis(3,3-difluorocyclopentyl)-1,3,5-triazine-2,4-diamine;6-(2-methyl-1,3-thiazol-4-yl)-2-N,4-N-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine

2-N,4-N-bis(3,3-difluorocyclopentyl)-6-[6-(1,1-difluoroethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N,4-N-bis[(1R)-3,3-difluorocyclopentyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-2-N,4-N-bis(1-cyclopropylpropyl)-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-2-N,4-N-bis[(1S)-3,3-difluorocyclopentyl]-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-2-N,4-N-bis(3,3-difluorocyclopentyl)-1,3,5-triazine-2,4-diamine;6-(2-methyl-1,3-thiazol-4-yl)-2-N,4-N-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine (PubChem CID 162137764) has the molecular formula C108H120Cl3F27N36S and a molecular weight of 2573.77 g/mol. Its IUPAC name is 2-N,4-N-bis(3,3-difluorocyclopentyl)-6-[6-(1,1-difluoroethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N,4-N-bis[(1R)-3,3-difluorocyclopentyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-2-N,4-N-bis(1-cyclopropylpropyl)-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-2-N,4-N-bis[(1S)-3,3-difluorocyclopentyl]-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-2-N,4-N-bis(3,3-difluorocyclopentyl)-1,3,5-triazine-2,4-diamine;6-(2-methyl-1,3-thiazol-4-yl)-2-N,4-N-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

• Compound Name: 2-N,4-N-bis(3,3-difluorocyclopentyl)-6-[6-(1,1-difluoroethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N,4-N-bis[(1R)-3,3-difluorocyclopentyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-2-N,4-N-bis(1-cyclopropylpropyl)-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-2-N,4-N-bis[(1S)-3,3-difluorocyclopentyl]-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-2-N,4-N-bis(3,3-difluorocyclopentyl)-1,3,5-triazine-2,4-diamine;6-(2-methyl-1,3-thiazol-4-yl)-2-N,4-N-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine
• PubChem CID: 162137764
• Molecular Formula: C108H120Cl3F27N36S
• Molecular Weight: 2573.77 g/mol
• Exact Mass: 2570.89
• IUPAC Name: 2-N,4-N-bis(3,3-difluorocyclopentyl)-6-[6-(1,1-difluoroethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N,4-N-bis[(1R)-3,3-difluorocyclopentyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-2-N,4-N-bis(1-cyclopropylpropyl)-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-2-N,4-N-bis[(1S)-3,3-difluorocyclopentyl]-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-2-N,4-N-bis(3,3-difluorocyclopentyl)-1,3,5-triazine-2,4-diamine;6-(2-methyl-1,3-thiazol-4-yl)-2-N,4-N-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine
• SMILES: CC(F)(F)c1cccc(-c2nc(NC3CCC(F)(F)C3)nc(NC3CCC(F)(F)C3)n2)n1.CCC(Nc1nc(NC(CC)C2CC2)nc(-c2cccc(Cl)n2)n1)C1CC1.Cc1nc(-c2nc(N[C@H](C)C(F)(F)F)nc(N[C@H](C)C(F)(F)F)n2)cs1.FC1(F)CCC(Nc2nc(NC3CCC(F)(F)C3)nc(-c3cccc(Cl)n3)n2)C1.FC1(F)CC[C@@H](Nc2nc(N[C@@H]3CCC(F)(F)C3)nc(-c3cccc(C(F)(F)F)n3)n2)C1.FC1(F)CC[C@H](Nc2nc(N[C@H]3CCC(F)(F)C3)nc(-c3cccc(Cl)n3)n2)C1
• InChI: InChI=1S/C20H27ClN6.C20H22F6N6.C19H19F7N6.2C18H19ClF4N6.C13H14F6N6S/c1-3-14(12-8-9-12)23-19-25-18(16-6-5-7-17(21)22-16)26-20(27-19)24-15(4-2)13-10-11-13;1-18(21,22)14-4-2-3-13(29-14)15-30-16(27-11-5-7-19(23,24)9-11)32-17(31-15)28-12-6-8-20(25,26)10-12;20-17(21)6-4-10(8-17)27-15-30-14(12-2-1-3-13(29-12)19(24,25)26)31-16(32-15)28-11-5-7-18(22,23)9-11;2*19-13-3-1-2-12(26-13)14-27-15(24-10-4-6-17(20,21)8-10)29-16(28-14)25-11-5-7-18(22,23)9-11;1-5(12(14,15)16)20-10-23-9(8-4-26-7(3)22-8)24-11(25-10)21-6(2)13(17,18)19/h5-7,12-15H,3-4,8-11H2,1-2H3,(H2,23,24,25,26,27);2-4,11-12H,5-10H2,1H3,(H2,27,28,30,31,32);1-3,10-11H,4-9H2,(H2,27,28,30,31,32);2*1-3,10-11H,4-9H2,(H2,24,25,27,28,29);4-6H,1-3H3,(H2,20,21,23,24,25)/t;;2*10-,11-;;5-,6-/m..10.1/s1
• InChIKey: ZJNAIWKMZOMVDK-VVABRSEJSA-N
• XLogP: 28.79
• TPSA: 453.72 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 37
• Rotatable Bonds: 35
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2573.77
LogP ≤ 5	28.79
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis(3,3-difluorocyclopentyl)-6-[6-(1,1-difluoroethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N,4-N-bis[(1R)-3,3-difluorocyclopentyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-2-N,4-N-bis(1-cyclopropylpropyl)-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-2-N,4-N-bis[(1S)-3,3-difluorocyclopentyl]-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-2-N,4-N-bis(3,3-difluorocyclopentyl)-1,3,5-triazine-2,4-diamine;6-(2-methyl-1,3-thiazol-4-yl)-2-N,4-N-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine?

The IUPAC name of 2-N,4-N-bis(3,3-difluorocyclopentyl)-6-[6-(1,1-difluoroethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N,4-N-bis[(1R)-3,3-difluorocyclopentyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-2-N,4-N-bis(1-cyclopropylpropyl)-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-2-N,4-N-bis[(1S)-3,3-difluorocyclopentyl]-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-2-N,4-N-bis(3,3-difluorocyclopentyl)-1,3,5-triazine-2,4-diamine;6-(2-methyl-1,3-thiazol-4-yl)-2-N,4-N-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine (CID 162137764) is 2-N,4-N-bis(3,3-difluorocyclopentyl)-6-[6-(1,1-difluoroethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N,4-N-bis[(1R)-3,3-difluorocyclopentyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-2-N,4-N-bis(1-cyclopropylpropyl)-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-2-N,4-N-bis[(1S)-3,3-difluorocyclopentyl]-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-2-N,4-N-bis(3,3-difluorocyclopentyl)-1,3,5-triazine-2,4-diamine;6-(2-methyl-1,3-thiazol-4-yl)-2-N,4-N-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine.

What is the SMILES notation for 2-N,4-N-bis(3,3-difluorocyclopentyl)-6-[6-(1,1-difluoroethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N,4-N-bis[(1R)-3,3-difluorocyclopentyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-2-N,4-N-bis(1-cyclopropylpropyl)-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-2-N,4-N-bis[(1S)-3,3-difluorocyclopentyl]-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-2-N,4-N-bis(3,3-difluorocyclopentyl)-1,3,5-triazine-2,4-diamine;6-(2-methyl-1,3-thiazol-4-yl)-2-N,4-N-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine?

The canonical SMILES for 2-N,4-N-bis(3,3-difluorocyclopentyl)-6-[6-(1,1-difluoroethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N,4-N-bis[(1R)-3,3-difluorocyclopentyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-2-N,4-N-bis(1-cyclopropylpropyl)-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-2-N,4-N-bis[(1S)-3,3-difluorocyclopentyl]-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-2-N,4-N-bis(3,3-difluorocyclopentyl)-1,3,5-triazine-2,4-diamine;6-(2-methyl-1,3-thiazol-4-yl)-2-N,4-N-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine is CC(F)(F)c1cccc(-c2nc(NC3CCC(F)(F)C3)nc(NC3CCC(F)(F)C3)n2)n1.CCC(Nc1nc(NC(CC)C2CC2)nc(-c2cccc(Cl)n2)n1)C1CC1.Cc1nc(-c2nc(N[C@H](C)C(F)(F)F)nc(N[C@H](C)C(F)(F)F)n2)cs1.FC1(F)CCC(Nc2nc(NC3CCC(F)(F)C3)nc(-c3cccc(Cl)n3)n2)C1.FC1(F)CC[C@@H](Nc2nc(N[C@@H]3CCC(F)(F)C3)nc(-c3cccc(C(F)(F)F)n3)n2)C1.FC1(F)CC[C@H](Nc2nc(N[C@H]3CCC(F)(F)C3)nc(-c3cccc(Cl)n3)n2)C1.

What is the InChIKey of 2-N,4-N-bis(3,3-difluorocyclopentyl)-6-[6-(1,1-difluoroethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N,4-N-bis[(1R)-3,3-difluorocyclopentyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-2-N,4-N-bis(1-cyclopropylpropyl)-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-2-N,4-N-bis[(1S)-3,3-difluorocyclopentyl]-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-2-N,4-N-bis(3,3-difluorocyclopentyl)-1,3,5-triazine-2,4-diamine;6-(2-methyl-1,3-thiazol-4-yl)-2-N,4-N-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine?

The InChIKey is ZJNAIWKMZOMVDK-VVABRSEJSA-N. The full InChI is InChI=1S/C20H27ClN6.C20H22F6N6.C19H19F7N6.2C18H19ClF4N6.C13H14F6N6S/c1-3-14(12-8-9-12)23-19-25-18(16-6-5-7-17(21)22-16)26-20(27-19)24-15(4-2)13-10-11-13;1-18(21,22)14-4-2-3-13(29-14)15-30-16(27-11-5-7-19(23,24)9-11)32-17(31-15)28-12-6-8-20(25,26)10-12;20-17(21)6-4-10(8-17)27-15-30-14(12-2-1-3-13(29-12)19(24,25)26)31-16(32-15)28-11-5-7-18(22,23)9-11;2*19-13-3-1-2-12(26-13)14-27-15(24-10-4-6-17(20,21)8-10)29-16(28-14)25-11-5-7-18(22,23)9-11;1-5(12(14,15)16)20-10-23-9(8-4-26-7(3)22-8)24-11(25-10)21-6(2)13(17,18)19/h5-7,12-15H,3-4,8-11H2,1-2H3,(H2,23,24,25,26,27);2-4,11-12H,5-10H2,1H3,(H2,27,28,30,31,32);1-3,10-11H,4-9H2,(H2,27,28,30,31,32);2*1-3,10-11H,4-9H2,(H2,24,25,27,28,29);4-6H,1-3H3,(H2,20,21,23,24,25)/t;;2*10-,11-;;5-,6-/m..10.1/s1.

What are the key properties of 2-N,4-N-bis(3,3-difluorocyclopentyl)-6-[6-(1,1-difluoroethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N,4-N-bis[(1R)-3,3-difluorocyclopentyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-2-N,4-N-bis(1-cyclopropylpropyl)-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-2-N,4-N-bis[(1S)-3,3-difluorocyclopentyl]-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-2-N,4-N-bis(3,3-difluorocyclopentyl)-1,3,5-triazine-2,4-diamine;6-(2-methyl-1,3-thiazol-4-yl)-2-N,4-N-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine?

2-N,4-N-bis(3,3-difluorocyclopentyl)-6-[6-(1,1-difluoroethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N,4-N-bis[(1R)-3,3-difluorocyclopentyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-2-N,4-N-bis(1-cyclopropylpropyl)-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-2-N,4-N-bis[(1S)-3,3-difluorocyclopentyl]-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-2-N,4-N-bis(3,3-difluorocyclopentyl)-1,3,5-triazine-2,4-diamine;6-(2-methyl-1,3-thiazol-4-yl)-2-N,4-N-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine has a molecular weight of 2573.77 g/mol, XLogP of 28.79, 35 rotatable bonds, 12 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N,4-N-bis(3,3-difluorocyclopentyl)-6-[6-(1,1-difluoroethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N,4-N-bis[(1R)-3,3-difluorocyclopentyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-2-N,4-N-bis(1-cyclopropylpropyl)-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-2-N,4-N-bis[(1S)-3,3-difluorocyclopentyl]-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-2-N,4-N-bis(3,3-difluorocyclopentyl)-1,3,5-triazine-2,4-diamine;6-(2-methyl-1,3-thiazol-4-yl)-2-N,4-N-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 162137764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).