2-N-[(1R,5S)-6-bicyclo[3.1.0]hexanyl]-6-(2-fluorophenyl)-4-N-(2-fluoro-4-pyridinyl)-1,3,5-triazine-2,4-diamine;2-N-[(1R,5S)-6-bicyclo[3.1.0]hexanyl]-6-(2-fluorophenyl)-4-N-(5-fluoro-3-pyridinyl)-1,3,5-triazine-2,4-diamine;2-N-[(1R,5S)-6-bicyclo[3.1.0]hexanyl]-6-(2-fluorophenyl)-4-N-(6-fluoro-3-pyridinyl)-1,3,5-triazine-2,4-diamine;2-N-cyclobutyl-6-(2-fluoro-5-methoxyphenyl)-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;3-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenol;[3-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenyl]methanol

C117H108F16N36O3 — CID 162084838

About 2-N-[(1R,5S)-6-bicyclo[3.1.0]hexanyl]-6-(2-fluorophenyl)-4-N-(2-fluoro-4-pyridinyl)-1,3,5-triazine-2,4-diamine;2-N-[(1R,5S)-6-bicyclo[3.1.0]hexanyl]-6-(2-fluorophenyl)-4-N-(5-fluoro-3-pyridinyl)-1,3,5-triazine-2,4-diamine;2-N-[(1R,5S)-6-bicyclo[3.1.0]hexanyl]-6-(2-fluorophenyl)-4-N-(6-fluoro-3-pyridinyl)-1,3,5-triazine-2,4-diamine;2-N-cyclobutyl-6-(2-fluoro-5-methoxyphenyl)-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;3-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenol;[3-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenyl]methanol

2-N-[(1R,5S)-6-bicyclo[3.1.0]hexanyl]-6-(2-fluorophenyl)-4-N-(2-fluoro-4-pyridinyl)-1,3,5-triazine-2,4-diamine;2-N-[(1R,5S)-6-bicyclo[3.1.0]hexanyl]-6-(2-fluorophenyl)-4-N-(5-fluoro-3-pyridinyl)-1,3,5-triazine-2,4-diamine;2-N-[(1R,5S)-6-bicyclo[3.1.0]hexanyl]-6-(2-fluorophenyl)-4-N-(6-fluoro-3-pyridinyl)-1,3,5-triazine-2,4-diamine;2-N-cyclobutyl-6-(2-fluoro-5-methoxyphenyl)-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;3-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenol;[3-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenyl]methanol (PubChem CID 162084838) has the molecular formula C117H108F16N36O3 and a molecular weight of 2370.37 g/mol. Its IUPAC name is 2-N-[(1R,5S)-6-bicyclo[3.1.0]hexanyl]-6-(2-fluorophenyl)-4-N-(2-fluoro-4-pyridinyl)-1,3,5-triazine-2,4-diamine;2-N-[(1R,5S)-6-bicyclo[3.1.0]hexanyl]-6-(2-fluorophenyl)-4-N-(5-fluoro-3-pyridinyl)-1,3,5-triazine-2,4-diamine;2-N-[(1R,5S)-6-bicyclo[3.1.0]hexanyl]-6-(2-fluorophenyl)-4-N-(6-fluoro-3-pyridinyl)-1,3,5-triazine-2,4-diamine;2-N-cyclobutyl-6-(2-fluoro-5-methoxyphenyl)-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;3-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenol;[3-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenyl]methanol.

Molecular Properties

• Compound Name: 2-N-[(1R,5S)-6-bicyclo[3.1.0]hexanyl]-6-(2-fluorophenyl)-4-N-(2-fluoro-4-pyridinyl)-1,3,5-triazine-2,4-diamine;2-N-[(1R,5S)-6-bicyclo[3.1.0]hexanyl]-6-(2-fluorophenyl)-4-N-(5-fluoro-3-pyridinyl)-1,3,5-triazine-2,4-diamine;2-N-[(1R,5S)-6-bicyclo[3.1.0]hexanyl]-6-(2-fluorophenyl)-4-N-(6-fluoro-3-pyridinyl)-1,3,5-triazine-2,4-diamine;2-N-cyclobutyl-6-(2-fluoro-5-methoxyphenyl)-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;3-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenol;[3-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenyl]methanol
• PubChem CID: 162084838
• Molecular Formula: C117H108F16N36O3
• Molecular Weight: 2370.37 g/mol
• Exact Mass: 2368.91
• IUPAC Name: 2-N-[(1R,5S)-6-bicyclo[3.1.0]hexanyl]-6-(2-fluorophenyl)-4-N-(2-fluoro-4-pyridinyl)-1,3,5-triazine-2,4-diamine;2-N-[(1R,5S)-6-bicyclo[3.1.0]hexanyl]-6-(2-fluorophenyl)-4-N-(5-fluoro-3-pyridinyl)-1,3,5-triazine-2,4-diamine;2-N-[(1R,5S)-6-bicyclo[3.1.0]hexanyl]-6-(2-fluorophenyl)-4-N-(6-fluoro-3-pyridinyl)-1,3,5-triazine-2,4-diamine;2-N-cyclobutyl-6-(2-fluoro-5-methoxyphenyl)-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;3-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenol;[3-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenyl]methanol
• SMILES: CC(C)Nc1nc(Nc2ccnc(C(F)(F)F)c2)nc(-c2cccc(CO)c2)n1.CC(C)Nc1nc(Nc2ccnc(C(F)(F)F)c2)nc(-c2cccc(O)c2)n1.COc1ccc(F)c(-c2nc(Nc3ccnc(C(F)(F)F)c3)nc(NC3CCC3)n2)c1.Fc1cc(Nc2nc(NC3[C@H]4CCC[C@@H]34)nc(-c3ccccc3F)n2)ccn1.Fc1ccc(Nc2nc(NC3[C@H]4CCC[C@@H]34)nc(-c3ccccc3F)n2)cn1.Fc1cncc(Nc2nc(NC3[C@H]4CCC[C@@H]34)nc(-c3ccccc3F)n2)c1
• InChI: InChI=1S/C20H18F4N6O.3C20H18F2N6.C19H19F3N6O.C18H17F3N6O/c1-31-13-5-6-15(21)14(10-13)17-28-18(26-11-3-2-4-11)30-19(29-17)27-12-7-8-25-16(9-12)20(22,23)24;21-11-8-12(10-23-9-11)24-19-26-18(15-4-1-2-7-16(15)22)27-20(28-19)25-17-13-5-3-6-14(13)17;21-15-7-2-1-4-14(15)18-26-19(24-11-8-9-23-16(22)10-11)28-20(27-18)25-17-12-5-3-6-13(12)17;21-15-7-2-1-4-14(15)18-26-19(24-11-8-9-16(22)23-10-11)28-20(27-18)25-17-12-5-3-6-13(12)17;1-11(2)24-17-26-16(13-5-3-4-12(8-13)10-29)27-18(28-17)25-14-6-7-23-15(9-14)19(20,21)22;1-10(2)23-16-25-15(11-4-3-5-13(28)8-11)26-17(27-16)24-12-6-7-22-14(9-12)18(19,20)21/h5-11H,2-4H2,1H3,(H2,25,26,27,28,29,30);1-2,4,7-10,13-14,17H,3,5-6H2,(H2,24,25,26,27,28);1-2,4,7-10,12-13,17H,3,5-6H2,(H2,23,24,25,26,27,28);1-2,4,7-10,12-13,17H,3,5-6H2,(H2,24,25,26,27,28);3-9,11,29H,10H2,1-2H3,(H2,23,24,25,26,27,28);3-10,28H,1-2H3,(H2,22,23,24,25,26,27)/t;13-,14+,17?;2*12-,13+,17?
• InChIKey: ZCVAEKUQJATAAY-FJMJDASNSA-N
• XLogP: 25.54
• TPSA: 503.41 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 39
• Rotatable Bonds: 32
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2370.37
LogP ≤ 5	25.54
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-N-[(1R,5S)-6-bicyclo[3.1.0]hexanyl]-6-(2-fluorophenyl)-4-N-(2-fluoro-4-pyridinyl)-1,3,5-triazine-2,4-diamine;2-N-[(1R,5S)-6-bicyclo[3.1.0]hexanyl]-6-(2-fluorophenyl)-4-N-(5-fluoro-3-pyridinyl)-1,3,5-triazine-2,4-diamine;2-N-[(1R,5S)-6-bicyclo[3.1.0]hexanyl]-6-(2-fluorophenyl)-4-N-(6-fluoro-3-pyridinyl)-1,3,5-triazine-2,4-diamine;2-N-cyclobutyl-6-(2-fluoro-5-methoxyphenyl)-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;3-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenol;[3-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenyl]methanol?

The IUPAC name of 2-N-[(1R,5S)-6-bicyclo[3.1.0]hexanyl]-6-(2-fluorophenyl)-4-N-(2-fluoro-4-pyridinyl)-1,3,5-triazine-2,4-diamine;2-N-[(1R,5S)-6-bicyclo[3.1.0]hexanyl]-6-(2-fluorophenyl)-4-N-(5-fluoro-3-pyridinyl)-1,3,5-triazine-2,4-diamine;2-N-[(1R,5S)-6-bicyclo[3.1.0]hexanyl]-6-(2-fluorophenyl)-4-N-(6-fluoro-3-pyridinyl)-1,3,5-triazine-2,4-diamine;2-N-cyclobutyl-6-(2-fluoro-5-methoxyphenyl)-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;3-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenol;[3-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenyl]methanol (CID 162084838) is 2-N-[(1R,5S)-6-bicyclo[3.1.0]hexanyl]-6-(2-fluorophenyl)-4-N-(2-fluoro-4-pyridinyl)-1,3,5-triazine-2,4-diamine;2-N-[(1R,5S)-6-bicyclo[3.1.0]hexanyl]-6-(2-fluorophenyl)-4-N-(5-fluoro-3-pyridinyl)-1,3,5-triazine-2,4-diamine;2-N-[(1R,5S)-6-bicyclo[3.1.0]hexanyl]-6-(2-fluorophenyl)-4-N-(6-fluoro-3-pyridinyl)-1,3,5-triazine-2,4-diamine;2-N-cyclobutyl-6-(2-fluoro-5-methoxyphenyl)-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;3-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenol;[3-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenyl]methanol.

What is the SMILES notation for 2-N-[(1R,5S)-6-bicyclo[3.1.0]hexanyl]-6-(2-fluorophenyl)-4-N-(2-fluoro-4-pyridinyl)-1,3,5-triazine-2,4-diamine;2-N-[(1R,5S)-6-bicyclo[3.1.0]hexanyl]-6-(2-fluorophenyl)-4-N-(5-fluoro-3-pyridinyl)-1,3,5-triazine-2,4-diamine;2-N-[(1R,5S)-6-bicyclo[3.1.0]hexanyl]-6-(2-fluorophenyl)-4-N-(6-fluoro-3-pyridinyl)-1,3,5-triazine-2,4-diamine;2-N-cyclobutyl-6-(2-fluoro-5-methoxyphenyl)-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;3-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenol;[3-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenyl]methanol?

The canonical SMILES for 2-N-[(1R,5S)-6-bicyclo[3.1.0]hexanyl]-6-(2-fluorophenyl)-4-N-(2-fluoro-4-pyridinyl)-1,3,5-triazine-2,4-diamine;2-N-[(1R,5S)-6-bicyclo[3.1.0]hexanyl]-6-(2-fluorophenyl)-4-N-(5-fluoro-3-pyridinyl)-1,3,5-triazine-2,4-diamine;2-N-[(1R,5S)-6-bicyclo[3.1.0]hexanyl]-6-(2-fluorophenyl)-4-N-(6-fluoro-3-pyridinyl)-1,3,5-triazine-2,4-diamine;2-N-cyclobutyl-6-(2-fluoro-5-methoxyphenyl)-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;3-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenol;[3-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenyl]methanol is CC(C)Nc1nc(Nc2ccnc(C(F)(F)F)c2)nc(-c2cccc(CO)c2)n1.CC(C)Nc1nc(Nc2ccnc(C(F)(F)F)c2)nc(-c2cccc(O)c2)n1.COc1ccc(F)c(-c2nc(Nc3ccnc(C(F)(F)F)c3)nc(NC3CCC3)n2)c1.Fc1cc(Nc2nc(NC3[C@H]4CCC[C@@H]34)nc(-c3ccccc3F)n2)ccn1.Fc1ccc(Nc2nc(NC3[C@H]4CCC[C@@H]34)nc(-c3ccccc3F)n2)cn1.Fc1cncc(Nc2nc(NC3[C@H]4CCC[C@@H]34)nc(-c3ccccc3F)n2)c1.

What is the InChIKey of 2-N-[(1R,5S)-6-bicyclo[3.1.0]hexanyl]-6-(2-fluorophenyl)-4-N-(2-fluoro-4-pyridinyl)-1,3,5-triazine-2,4-diamine;2-N-[(1R,5S)-6-bicyclo[3.1.0]hexanyl]-6-(2-fluorophenyl)-4-N-(5-fluoro-3-pyridinyl)-1,3,5-triazine-2,4-diamine;2-N-[(1R,5S)-6-bicyclo[3.1.0]hexanyl]-6-(2-fluorophenyl)-4-N-(6-fluoro-3-pyridinyl)-1,3,5-triazine-2,4-diamine;2-N-cyclobutyl-6-(2-fluoro-5-methoxyphenyl)-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;3-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenol;[3-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenyl]methanol?

The InChIKey is ZCVAEKUQJATAAY-FJMJDASNSA-N. The full InChI is InChI=1S/C20H18F4N6O.3C20H18F2N6.C19H19F3N6O.C18H17F3N6O/c1-31-13-5-6-15(21)14(10-13)17-28-18(26-11-3-2-4-11)30-19(29-17)27-12-7-8-25-16(9-12)20(22,23)24;21-11-8-12(10-23-9-11)24-19-26-18(15-4-1-2-7-16(15)22)27-20(28-19)25-17-13-5-3-6-14(13)17;21-15-7-2-1-4-14(15)18-26-19(24-11-8-9-23-16(22)10-11)28-20(27-18)25-17-12-5-3-6-13(12)17;21-15-7-2-1-4-14(15)18-26-19(24-11-8-9-16(22)23-10-11)28-20(27-18)25-17-12-5-3-6-13(12)17;1-11(2)24-17-26-16(13-5-3-4-12(8-13)10-29)27-18(28-17)25-14-6-7-23-15(9-14)19(20,21)22;1-10(2)23-16-25-15(11-4-3-5-13(28)8-11)26-17(27-16)24-12-6-7-22-14(9-12)18(19,20)21/h5-11H,2-4H2,1H3,(H2,25,26,27,28,29,30);1-2,4,7-10,13-14,17H,3,5-6H2,(H2,24,25,26,27,28);1-2,4,7-10,12-13,17H,3,5-6H2,(H2,23,24,25,26,27,28);1-2,4,7-10,12-13,17H,3,5-6H2,(H2,24,25,26,27,28);3-9,11,29H,10H2,1-2H3,(H2,23,24,25,26,27,28);3-10,28H,1-2H3,(H2,22,23,24,25,26,27)/t;13-,14+,17?;2*12-,13+,17?;;.

What are the key properties of 2-N-[(1R,5S)-6-bicyclo[3.1.0]hexanyl]-6-(2-fluorophenyl)-4-N-(2-fluoro-4-pyridinyl)-1,3,5-triazine-2,4-diamine;2-N-[(1R,5S)-6-bicyclo[3.1.0]hexanyl]-6-(2-fluorophenyl)-4-N-(5-fluoro-3-pyridinyl)-1,3,5-triazine-2,4-diamine;2-N-[(1R,5S)-6-bicyclo[3.1.0]hexanyl]-6-(2-fluorophenyl)-4-N-(6-fluoro-3-pyridinyl)-1,3,5-triazine-2,4-diamine;2-N-cyclobutyl-6-(2-fluoro-5-methoxyphenyl)-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;3-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenol;[3-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenyl]methanol?

2-N-[(1R,5S)-6-bicyclo[3.1.0]hexanyl]-6-(2-fluorophenyl)-4-N-(2-fluoro-4-pyridinyl)-1,3,5-triazine-2,4-diamine;2-N-[(1R,5S)-6-bicyclo[3.1.0]hexanyl]-6-(2-fluorophenyl)-4-N-(5-fluoro-3-pyridinyl)-1,3,5-triazine-2,4-diamine;2-N-[(1R,5S)-6-bicyclo[3.1.0]hexanyl]-6-(2-fluorophenyl)-4-N-(6-fluoro-3-pyridinyl)-1,3,5-triazine-2,4-diamine;2-N-cyclobutyl-6-(2-fluoro-5-methoxyphenyl)-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;3-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenol;[3-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenyl]methanol has a molecular weight of 2370.37 g/mol, XLogP of 25.54, 32 rotatable bonds, 14 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-[(1R,5S)-6-bicyclo[3.1.0]hexanyl]-6-(2-fluorophenyl)-4-N-(2-fluoro-4-pyridinyl)-1,3,5-triazine-2,4-diamine;2-N-[(1R,5S)-6-bicyclo[3.1.0]hexanyl]-6-(2-fluorophenyl)-4-N-(5-fluoro-3-pyridinyl)-1,3,5-triazine-2,4-diamine;2-N-[(1R,5S)-6-bicyclo[3.1.0]hexanyl]-6-(2-fluorophenyl)-4-N-(6-fluoro-3-pyridinyl)-1,3,5-triazine-2,4-diamine;2-N-cyclobutyl-6-(2-fluoro-5-methoxyphenyl)-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;3-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenol;[3-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenyl]methanol is sourced from PubChem (CID 162084838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).