6-(3-fluoro-5-methoxyphenyl)-2-N-propan-2-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;3-fluoro-5-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenol;6-[3-fluoro-5-(trifluoromethyl)phenyl]-4-N-(3-methylsulfonylphenyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-(3-methylsulfonylphenyl)-2-N-propan-2-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;1-[3-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenyl]cyclopropan-1-ol;1-[3-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenyl]ethanol

C117H114F21N35O8S2 — CID 159434190

About 6-(3-fluoro-5-methoxyphenyl)-2-N-propan-2-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;3-fluoro-5-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenol;6-[3-fluoro-5-(trifluoromethyl)phenyl]-4-N-(3-methylsulfonylphenyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-(3-methylsulfonylphenyl)-2-N-propan-2-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;1-[3-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenyl]cyclopropan-1-ol;1-[3-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenyl]ethanol

6-(3-fluoro-5-methoxyphenyl)-2-N-propan-2-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;3-fluoro-5-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenol;6-[3-fluoro-5-(trifluoromethyl)phenyl]-4-N-(3-methylsulfonylphenyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-(3-methylsulfonylphenyl)-2-N-propan-2-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;1-[3-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenyl]cyclopropan-1-ol;1-[3-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenyl]ethanol (PubChem CID 159434190) has the molecular formula C117H114F21N35O8S2 and a molecular weight of 2601.53 g/mol. Its IUPAC name is 6-(3-fluoro-5-methoxyphenyl)-2-N-propan-2-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;3-fluoro-5-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenol;6-[3-fluoro-5-(trifluoromethyl)phenyl]-4-N-(3-methylsulfonylphenyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-(3-methylsulfonylphenyl)-2-N-propan-2-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;1-[3-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenyl]cyclopropan-1-ol;1-[3-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenyl]ethanol.

Molecular Properties

• Compound Name: 6-(3-fluoro-5-methoxyphenyl)-2-N-propan-2-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;3-fluoro-5-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenol;6-[3-fluoro-5-(trifluoromethyl)phenyl]-4-N-(3-methylsulfonylphenyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-(3-methylsulfonylphenyl)-2-N-propan-2-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;1-[3-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenyl]cyclopropan-1-ol;1-[3-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenyl]ethanol
• PubChem CID: 159434190
• Molecular Formula: C117H114F21N35O8S2
• Molecular Weight: 2601.53 g/mol
• Exact Mass: 2599.87
• IUPAC Name: 6-(3-fluoro-5-methoxyphenyl)-2-N-propan-2-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;3-fluoro-5-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenol;6-[3-fluoro-5-(trifluoromethyl)phenyl]-4-N-(3-methylsulfonylphenyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-(3-methylsulfonylphenyl)-2-N-propan-2-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;1-[3-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenyl]cyclopropan-1-ol;1-[3-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenyl]ethanol
• SMILES: CC(C)Nc1nc(Nc2cccc(S(C)(=O)=O)c2)nc(-c2cc(F)cc(C(F)(F)F)c2)n1.CC(C)Nc1nc(Nc2ccnc(C(F)(F)F)c2)nc(-c2cc(O)cc(F)c2)n1.CC(C)Nc1nc(Nc2ccnc(C(F)(F)F)c2)nc(-c2cccc(C(C)O)c2)n1.CC(C)Nc1nc(Nc2ccnc(C(F)(F)F)c2)nc(-c2cccc(C3(O)CC3)c2)n1.CC(C)Nc1nc(Nc2ccnc(C(F)(F)F)c2)nc(-c2cccc(S(C)(=O)=O)c2)n1.COc1cc(F)cc(-c2nc(Nc3ccnc(C(F)(F)F)c3)nc(NC(C)C)n2)c1
• InChI: InChI=1S/C21H21F3N6O.C20H19F4N5O2S.C20H21F3N6O.C19H18F4N6O.C19H19F3N6O2S.C18H16F4N6O/c1-12(2)26-18-28-17(13-4-3-5-14(10-13)20(31)7-8-20)29-19(30-18)27-15-6-9-25-16(11-15)21(22,23)24;1-11(2)25-18-27-17(12-7-13(20(22,23)24)9-14(21)8-12)28-19(29-18)26-15-5-4-6-16(10-15)32(3,30)31;1-11(2)25-18-27-17(14-6-4-5-13(9-14)12(3)30)28-19(29-18)26-15-7-8-24-16(10-15)20(21,22)23;1-10(2)25-17-27-16(11-6-12(20)8-14(7-11)30-3)28-18(29-17)26-13-4-5-24-15(9-13)19(21,22)23;1-11(2)24-17-26-16(12-5-4-6-14(9-12)31(3,29)30)27-18(28-17)25-13-7-8-23-15(10-13)19(20,21)22;1-9(2)24-16-26-15(10-5-11(19)7-13(29)6-10)27-17(28-16)25-12-3-4-23-14(8-12)18(20,21)22/h3-6,9-12,31H,7-8H2,1-2H3,(H2,25,26,27,28,29,30);4-11H,1-3H3,(H2,25,26,27,28,29);4-12,30H,1-3H3,(H2,24,25,26,27,28,29);4-10H,1-3H3,(H2,24,25,26,27,28,29);4-11H,1-3H3,(H2,23,24,25,26,27,28);3-9,29H,1-2H3,(H2,23,24,25,26,27,28)
• InChIKey: LRJBZAQXQDHQQR-UHFFFAOYSA-N
• XLogP: 26.68
• TPSA: 579.03 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 43
• Rotatable Bonds: 35
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2601.53
LogP ≤ 5	26.68
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	43

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoro-5-methoxyphenyl)-2-N-propan-2-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;3-fluoro-5-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenol;6-[3-fluoro-5-(trifluoromethyl)phenyl]-4-N-(3-methylsulfonylphenyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-(3-methylsulfonylphenyl)-2-N-propan-2-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;1-[3-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenyl]cyclopropan-1-ol;1-[3-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenyl]ethanol?

The IUPAC name of 6-(3-fluoro-5-methoxyphenyl)-2-N-propan-2-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;3-fluoro-5-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenol;6-[3-fluoro-5-(trifluoromethyl)phenyl]-4-N-(3-methylsulfonylphenyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-(3-methylsulfonylphenyl)-2-N-propan-2-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;1-[3-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenyl]cyclopropan-1-ol;1-[3-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenyl]ethanol (CID 159434190) is 6-(3-fluoro-5-methoxyphenyl)-2-N-propan-2-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;3-fluoro-5-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenol;6-[3-fluoro-5-(trifluoromethyl)phenyl]-4-N-(3-methylsulfonylphenyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-(3-methylsulfonylphenyl)-2-N-propan-2-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;1-[3-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenyl]cyclopropan-1-ol;1-[3-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenyl]ethanol.

What is the SMILES notation for 6-(3-fluoro-5-methoxyphenyl)-2-N-propan-2-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;3-fluoro-5-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenol;6-[3-fluoro-5-(trifluoromethyl)phenyl]-4-N-(3-methylsulfonylphenyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-(3-methylsulfonylphenyl)-2-N-propan-2-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;1-[3-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenyl]cyclopropan-1-ol;1-[3-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenyl]ethanol?

The canonical SMILES for 6-(3-fluoro-5-methoxyphenyl)-2-N-propan-2-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;3-fluoro-5-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenol;6-[3-fluoro-5-(trifluoromethyl)phenyl]-4-N-(3-methylsulfonylphenyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-(3-methylsulfonylphenyl)-2-N-propan-2-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;1-[3-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenyl]cyclopropan-1-ol;1-[3-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenyl]ethanol is CC(C)Nc1nc(Nc2cccc(S(C)(=O)=O)c2)nc(-c2cc(F)cc(C(F)(F)F)c2)n1.CC(C)Nc1nc(Nc2ccnc(C(F)(F)F)c2)nc(-c2cc(O)cc(F)c2)n1.CC(C)Nc1nc(Nc2ccnc(C(F)(F)F)c2)nc(-c2cccc(C(C)O)c2)n1.CC(C)Nc1nc(Nc2ccnc(C(F)(F)F)c2)nc(-c2cccc(C3(O)CC3)c2)n1.CC(C)Nc1nc(Nc2ccnc(C(F)(F)F)c2)nc(-c2cccc(S(C)(=O)=O)c2)n1.COc1cc(F)cc(-c2nc(Nc3ccnc(C(F)(F)F)c3)nc(NC(C)C)n2)c1.

What is the InChIKey of 6-(3-fluoro-5-methoxyphenyl)-2-N-propan-2-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;3-fluoro-5-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenol;6-[3-fluoro-5-(trifluoromethyl)phenyl]-4-N-(3-methylsulfonylphenyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-(3-methylsulfonylphenyl)-2-N-propan-2-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;1-[3-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenyl]cyclopropan-1-ol;1-[3-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenyl]ethanol?

The InChIKey is LRJBZAQXQDHQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N6O.C20H19F4N5O2S.C20H21F3N6O.C19H18F4N6O.C19H19F3N6O2S.C18H16F4N6O/c1-12(2)26-18-28-17(13-4-3-5-14(10-13)20(31)7-8-20)29-19(30-18)27-15-6-9-25-16(11-15)21(22,23)24;1-11(2)25-18-27-17(12-7-13(20(22,23)24)9-14(21)8-12)28-19(29-18)26-15-5-4-6-16(10-15)32(3,30)31;1-11(2)25-18-27-17(14-6-4-5-13(9-14)12(3)30)28-19(29-18)26-15-7-8-24-16(10-15)20(21,22)23;1-10(2)25-17-27-16(11-6-12(20)8-14(7-11)30-3)28-18(29-17)26-13-4-5-24-15(9-13)19(21,22)23;1-11(2)24-17-26-16(12-5-4-6-14(9-12)31(3,29)30)27-18(28-17)25-13-7-8-23-15(10-13)19(20,21)22;1-9(2)24-16-26-15(10-5-11(19)7-13(29)6-10)27-17(28-16)25-12-3-4-23-14(8-12)18(20,21)22/h3-6,9-12,31H,7-8H2,1-2H3,(H2,25,26,27,28,29,30);4-11H,1-3H3,(H2,25,26,27,28,29);4-12,30H,1-3H3,(H2,24,25,26,27,28,29);4-10H,1-3H3,(H2,24,25,26,27,28,29);4-11H,1-3H3,(H2,23,24,25,26,27,28);3-9,29H,1-2H3,(H2,23,24,25,26,27,28).

What are the key properties of 6-(3-fluoro-5-methoxyphenyl)-2-N-propan-2-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;3-fluoro-5-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenol;6-[3-fluoro-5-(trifluoromethyl)phenyl]-4-N-(3-methylsulfonylphenyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-(3-methylsulfonylphenyl)-2-N-propan-2-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;1-[3-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenyl]cyclopropan-1-ol;1-[3-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenyl]ethanol?

6-(3-fluoro-5-methoxyphenyl)-2-N-propan-2-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;3-fluoro-5-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenol;6-[3-fluoro-5-(trifluoromethyl)phenyl]-4-N-(3-methylsulfonylphenyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-(3-methylsulfonylphenyl)-2-N-propan-2-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;1-[3-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenyl]cyclopropan-1-ol;1-[3-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenyl]ethanol has a molecular weight of 2601.53 g/mol, XLogP of 26.68, 35 rotatable bonds, 15 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3-fluoro-5-methoxyphenyl)-2-N-propan-2-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;3-fluoro-5-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenol;6-[3-fluoro-5-(trifluoromethyl)phenyl]-4-N-(3-methylsulfonylphenyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;6-(3-methylsulfonylphenyl)-2-N-propan-2-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;1-[3-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenyl]cyclopropan-1-ol;1-[3-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenyl]ethanol is sourced from PubChem (CID 159434190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).