6-(6-chloro-2-pyridinyl)-2-N,4-N-bis(1,1,1-trifluorobutan-2-yl)-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-2-N,4-N-bis[(2R)-1,1,1-trifluorobutan-2-yl]-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-2-N,4-N-bis(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-4-N-[(2S)-1,1,1-trifluoropropan-2-yl]-2-N-[(2R)-1,1,1-trifluoropropan-2-yl]-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;6-[3-(trifluoromethyl)pyrazol-1-yl]-2-N,4-N-bis(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine

C86H86Cl4F39N37S — CID 159325353

About 6-(6-chloro-2-pyridinyl)-2-N,4-N-bis(1,1,1-trifluorobutan-2-yl)-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-2-N,4-N-bis[(2R)-1,1,1-trifluorobutan-2-yl]-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-2-N,4-N-bis(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-4-N-[(2S)-1,1,1-trifluoropropan-2-yl]-2-N-[(2R)-1,1,1-trifluoropropan-2-yl]-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;6-[3-(trifluoromethyl)pyrazol-1-yl]-2-N,4-N-bis(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine

6-(6-chloro-2-pyridinyl)-2-N,4-N-bis(1,1,1-trifluorobutan-2-yl)-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-2-N,4-N-bis[(2R)-1,1,1-trifluorobutan-2-yl]-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-2-N,4-N-bis(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-4-N-[(2S)-1,1,1-trifluoropropan-2-yl]-2-N-[(2R)-1,1,1-trifluoropropan-2-yl]-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;6-[3-(trifluoromethyl)pyrazol-1-yl]-2-N,4-N-bis(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 159325353) has the molecular formula C86H86Cl4F39N37S and a molecular weight of 2552.69 g/mol. Its IUPAC name is 6-(6-chloro-2-pyridinyl)-2-N,4-N-bis(1,1,1-trifluorobutan-2-yl)-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-2-N,4-N-bis[(2R)-1,1,1-trifluorobutan-2-yl]-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-2-N,4-N-bis(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-4-N-[(2S)-1,1,1-trifluoropropan-2-yl]-2-N-[(2R)-1,1,1-trifluoropropan-2-yl]-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;6-[3-(trifluoromethyl)pyrazol-1-yl]-2-N,4-N-bis(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

• Compound Name: 6-(6-chloro-2-pyridinyl)-2-N,4-N-bis(1,1,1-trifluorobutan-2-yl)-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-2-N,4-N-bis[(2R)-1,1,1-trifluorobutan-2-yl]-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-2-N,4-N-bis(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-4-N-[(2S)-1,1,1-trifluoropropan-2-yl]-2-N-[(2R)-1,1,1-trifluoropropan-2-yl]-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;6-[3-(trifluoromethyl)pyrazol-1-yl]-2-N,4-N-bis(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
• PubChem CID: 159325353
• Molecular Formula: C86H86Cl4F39N37S
• Molecular Weight: 2552.69 g/mol
• Exact Mass: 2549.57
• IUPAC Name: 6-(6-chloro-2-pyridinyl)-2-N,4-N-bis(1,1,1-trifluorobutan-2-yl)-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-2-N,4-N-bis[(2R)-1,1,1-trifluorobutan-2-yl]-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-2-N,4-N-bis(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-4-N-[(2S)-1,1,1-trifluoropropan-2-yl]-2-N-[(2R)-1,1,1-trifluoropropan-2-yl]-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;6-[3-(trifluoromethyl)pyrazol-1-yl]-2-N,4-N-bis(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
• SMILES: CC(Nc1nc(NC(C)C(F)(F)F)nc(-c2cccc(Cl)n2)n1)C(F)(F)F.CC(Nc1nc(NC(C)C(F)(F)F)nc(-n2ccc(C(F)(F)F)n2)n1)C(F)(F)F.CCC(Nc1nc(NC(CC)C(F)(F)F)nc(-c2cccc(Cl)n2)n1)C(F)(F)F.CC[C@@H](Nc1nc(N[C@H](CC)C(F)(F)F)nc(-c2cccc(Cl)n2)n1)C(F)(F)F.C[C@H](Nc1nc(N[C@H](C)C(F)(F)F)nc(-c2cccc(Cl)n2)n1)C(F)(F)F.Cc1nc(-c2nc(N[C@H](C)C(F)(F)F)nc(N[C@H](C)C(F)(F)F)n2)cs1
• InChI: InChI=1S/2C16H17ClF6N6.2C14H13ClF6N6.C13H12F9N7.C13H14F6N6S/c2*1-3-9(15(18,19)20)25-13-27-12(8-6-5-7-11(17)24-8)28-14(29-13)26-10(4-2)16(21,22)23;2*1-6(13(16,17)18)22-11-25-10(8-4-3-5-9(15)24-8)26-12(27-11)23-7(2)14(19,20)21;1-5(11(14,15)16)23-8-25-9(24-6(2)12(17,18)19)27-10(26-8)29-4-3-7(28-29)13(20,21)22;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/h2*5-7,9-10H,3-4H2,1-2H3,(H2,25,26,27,28,29);2*3-7H,1-2H3,(H2,22,23,25,26,27);3-6H,1-2H3,(H2,23,24,25,26,27);4-6H,1-3H3,(H2,20,21,23,24,25)/t9-,10-;;6-,7+;;;5-,6-/m1....1/s1
• InChIKey: LEHDVYQACDQLAR-MYPSVSMASA-N
• XLogP: 26.64
• TPSA: 458.65 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 38
• Rotatable Bonds: 34
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2552.69
LogP ≤ 5	26.64
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)-2-N,4-N-bis(1,1,1-trifluorobutan-2-yl)-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-2-N,4-N-bis[(2R)-1,1,1-trifluorobutan-2-yl]-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-2-N,4-N-bis(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-4-N-[(2S)-1,1,1-trifluoropropan-2-yl]-2-N-[(2R)-1,1,1-trifluoropropan-2-yl]-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;6-[3-(trifluoromethyl)pyrazol-1-yl]-2-N,4-N-bis(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine?

The IUPAC name of 6-(6-chloro-2-pyridinyl)-2-N,4-N-bis(1,1,1-trifluorobutan-2-yl)-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-2-N,4-N-bis[(2R)-1,1,1-trifluorobutan-2-yl]-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-2-N,4-N-bis(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-4-N-[(2S)-1,1,1-trifluoropropan-2-yl]-2-N-[(2R)-1,1,1-trifluoropropan-2-yl]-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;6-[3-(trifluoromethyl)pyrazol-1-yl]-2-N,4-N-bis(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine (CID 159325353) is 6-(6-chloro-2-pyridinyl)-2-N,4-N-bis(1,1,1-trifluorobutan-2-yl)-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-2-N,4-N-bis[(2R)-1,1,1-trifluorobutan-2-yl]-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-2-N,4-N-bis(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-4-N-[(2S)-1,1,1-trifluoropropan-2-yl]-2-N-[(2R)-1,1,1-trifluoropropan-2-yl]-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;6-[3-(trifluoromethyl)pyrazol-1-yl]-2-N,4-N-bis(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine.

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

The canonical SMILES for 6-(6-chloro-2-pyridinyl)-2-N,4-N-bis(1,1,1-trifluorobutan-2-yl)-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-2-N,4-N-bis[(2R)-1,1,1-trifluorobutan-2-yl]-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-2-N,4-N-bis(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-4-N-[(2S)-1,1,1-trifluoropropan-2-yl]-2-N-[(2R)-1,1,1-trifluoropropan-2-yl]-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;6-[3-(trifluoromethyl)pyrazol-1-yl]-2-N,4-N-bis(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine is CC(Nc1nc(NC(C)C(F)(F)F)nc(-c2cccc(Cl)n2)n1)C(F)(F)F.CC(Nc1nc(NC(C)C(F)(F)F)nc(-n2ccc(C(F)(F)F)n2)n1)C(F)(F)F.CCC(Nc1nc(NC(CC)C(F)(F)F)nc(-c2cccc(Cl)n2)n1)C(F)(F)F.CC[C@@H](Nc1nc(N[C@H](CC)C(F)(F)F)nc(-c2cccc(Cl)n2)n1)C(F)(F)F.C[C@H](Nc1nc(N[C@H](C)C(F)(F)F)nc(-c2cccc(Cl)n2)n1)C(F)(F)F.Cc1nc(-c2nc(N[C@H](C)C(F)(F)F)nc(N[C@H](C)C(F)(F)F)n2)cs1.

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

The InChIKey is LEHDVYQACDQLAR-MYPSVSMASA-N. The full InChI is InChI=1S/2C16H17ClF6N6.2C14H13ClF6N6.C13H12F9N7.C13H14F6N6S/c2*1-3-9(15(18,19)20)25-13-27-12(8-6-5-7-11(17)24-8)28-14(29-13)26-10(4-2)16(21,22)23;2*1-6(13(16,17)18)22-11-25-10(8-4-3-5-9(15)24-8)26-12(27-11)23-7(2)14(19,20)21;1-5(11(14,15)16)23-8-25-9(24-6(2)12(17,18)19)27-10(26-8)29-4-3-7(28-29)13(20,21)22;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/h2*5-7,9-10H,3-4H2,1-2H3,(H2,25,26,27,28,29);2*3-7H,1-2H3,(H2,22,23,25,26,27);3-6H,1-2H3,(H2,23,24,25,26,27);4-6H,1-3H3,(H2,20,21,23,24,25)/t9-,10-;;6-,7+;;;5-,6-/m1....1/s1.

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

6-(6-chloro-2-pyridinyl)-2-N,4-N-bis(1,1,1-trifluorobutan-2-yl)-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-2-N,4-N-bis[(2R)-1,1,1-trifluorobutan-2-yl]-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-2-N,4-N-bis(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-4-N-[(2S)-1,1,1-trifluoropropan-2-yl]-2-N-[(2R)-1,1,1-trifluoropropan-2-yl]-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;6-[3-(trifluoromethyl)pyrazol-1-yl]-2-N,4-N-bis(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 2552.69 g/mol, XLogP of 26.64, 34 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)-2-N,4-N-bis(1,1,1-trifluorobutan-2-yl)-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-2-N,4-N-bis[(2R)-1,1,1-trifluorobutan-2-yl]-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-2-N,4-N-bis(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-4-N-[(2S)-1,1,1-trifluoropropan-2-yl]-2-N-[(2R)-1,1,1-trifluoropropan-2-yl]-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;6-[3-(trifluoromethyl)pyrazol-1-yl]-2-N,4-N-bis(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 159325353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).