3-fluoro-4-methyl-1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]piperidin-4-ol;4-(4-methylpiperidin-1-yl)-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;4-[(3S)-3-methylpyrrolidin-1-yl]-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;4-[4-methyl-4-(trifluoromethyl)piperidin-1-yl]-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;3-methyl-1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]pyrrolidin-3-ol;(3S)-3-methyl-1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]pyrrolidin-3-ol;sulfane

C124H110F40N42O3S2 — CID 157495214

IUPAC3-fluoro-4-methyl-1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]piperidin-4-ol;4-(4-methylpiperidin-1-yl)-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;4-[(3S)-3-methylpyrrolidin-1-yl]-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;4-[4-methyl-4-(trifluoromethyl)piperidin-1-yl]-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;3-methyl-1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]pyrrolidin-3-ol;(3S)-3-methyl-1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]pyrrolidin-3-ol;sulfane
SMILESCC1(C(F)(F)F)CCN(c2nc(Nc3ccnc(C(F)(F)F)c3)nc(-c3cccc(C(F)(F)F)n3)n2)CC1.CC1(O)CCN(c2nc(Nc3ccnc(C(F)(F)F)c3)nc(-c3cccc(C(F)(F)F)n3)n2)C1.CC1(O)CCN(c2nc(Nc3ccnc(C(F)(F)F)c3)nc(-c3cccc(C(F)(F)F)n3)n2)CC1F.CC1CCN(c2nc(Nc3ccnc(C(F)(F)F)c3)nc(-c3cccc(C(F)(F)F)n3)n2)CC1.C[C@H]1CCN(c2nc(Nc3ccnc(C(F)(F)F)c3)nc(-c3cccc(C(F)(F)F)n3)n2)C1.C[C@]1(O)CCN(c2nc(Nc3ccnc(C(F)(F)F)c3)nc(-c3cccc(C(F)(F)F)n3)n2)C1.S.S
InChIInChI=1S/C22H18F9N7.C21H18F7N7O.C21H19F6N7.2C20H17F6N7O.C20H17F6N7.2H2S/c1-19(22(29,30)31)6-9-38(10-7-19)18-36-16(13-3-2-4-14(34-13)20(23,24)25)35-17(37-18)33-12-5-8-32-15(11-12)21(26,27)28;1-19(36)6-8-35(10-13(19)22)18-33-16(12-3-2-4-14(31-12)20(23,24)25)32-17(34-18)30-11-5-7-29-15(9-11)21(26,27)28;1-12-6-9-34(10-7-12)19-32-17(14-3-2-4-15(30-14)20(22,23)24)31-18(33-19)29-13-5-8-28-16(11-13)21(25,26)27;2*1-18(34)6-8-33(10-18)17-31-15(12-3-2-4-13(29-12)19(21,22)23)30-16(32-17)28-11-5-7-27-14(9-11)20(24,25)26;1-11-6-8-33(10-11)18-31-16(13-3-2-4-14(29-13)19(21,22)23)30-17(32-18)28-12-5-7-27-15(9-12)20(24,25)26;;/h2-5,8,11H,6-7,9-10H2,1H3,(H,32,33,35,36,37);2-5,7,9,13,36H,6,8,10H2,1H3,(H,29,30,32,33,34);2-5,8,11-12H,6-7,9-10H2,1H3,(H,28,29,31,32,33);2*2-5,7,9,34H,6,8,10H2,1H3,(H,27,28,30,31,32);2-5,7,9,11H,6,8,10H2,1H3,(H,27,28,30,31,32);2*1H2/t;;;18-;;11-;;/m...0.0../s1
InChIKeyBXTDLWLIPMJORR-NYODGZBXSA-N
MW3060.59 g/mol
LogP29.36
Rot. Bonds24

About 3-fluoro-4-methyl-1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]piperidin-4-ol;4-(4-methylpiperidin-1-yl)-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;4-[(3S)-3-methylpyrrolidin-1-yl]-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;4-[4-methyl-4-(trifluoromethyl)piperidin-1-yl]-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;3-methyl-1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]pyrrolidin-3-ol;(3S)-3-methyl-1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]pyrrolidin-3-ol;sulfane

3-fluoro-4-methyl-1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]piperidin-4-ol;4-(4-methylpiperidin-1-yl)-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;4-[(3S)-3-methylpyrrolidin-1-yl]-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;4-[4-methyl-4-(trifluoromethyl)piperidin-1-yl]-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;3-methyl-1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]pyrrolidin-3-ol;(3S)-3-methyl-1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]pyrrolidin-3-ol;sulfane (PubChem CID 157495214) has the molecular formula C124H110F40N42O3S2 and a molecular weight of 3060.59 g/mol. Its IUPAC name is 3-fluoro-4-methyl-1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]piperidin-4-ol;4-(4-methylpiperidin-1-yl)-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;4-[(3S)-3-methylpyrrolidin-1-yl]-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;4-[4-methyl-4-(trifluoromethyl)piperidin-1-yl]-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;3-methyl-1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]pyrrolidin-3-ol;(3S)-3-methyl-1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]pyrrolidin-3-ol;sulfane.

Molecular Properties

Compound Name3-fluoro-4-methyl-1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]piperidin-4-ol;4-(4-methylpiperidin-1-yl)-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;4-[(3S)-3-methylpyrrolidin-1-yl]-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;4-[4-methyl-4-(trifluoromethyl)piperidin-1-yl]-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;3-methyl-1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]pyrrolidin-3-ol;(3S)-3-methyl-1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]pyrrolidin-3-ol;sulfane
PubChem CID157495214
Molecular FormulaC124H110F40N42O3S2
Molecular Weight3060.59 g/mol
Exact Mass3058.85
IUPAC Name3-fluoro-4-methyl-1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]piperidin-4-ol;4-(4-methylpiperidin-1-yl)-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;4-[(3S)-3-methylpyrrolidin-1-yl]-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;4-[4-methyl-4-(trifluoromethyl)piperidin-1-yl]-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;3-methyl-1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]pyrrolidin-3-ol;(3S)-3-methyl-1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]pyrrolidin-3-ol;sulfane
SMILESCC1(C(F)(F)F)CCN(c2nc(Nc3ccnc(C(F)(F)F)c3)nc(-c3cccc(C(F)(F)F)n3)n2)CC1.CC1(O)CCN(c2nc(Nc3ccnc(C(F)(F)F)c3)nc(-c3cccc(C(F)(F)F)n3)n2)C1.CC1(O)CCN(c2nc(Nc3ccnc(C(F)(F)F)c3)nc(-c3cccc(C(F)(F)F)n3)n2)CC1F.CC1CCN(c2nc(Nc3ccnc(C(F)(F)F)c3)nc(-c3cccc(C(F)(F)F)n3)n2)CC1.C[C@H]1CCN(c2nc(Nc3ccnc(C(F)(F)F)c3)nc(-c3cccc(C(F)(F)F)n3)n2)C1.C[C@]1(O)CCN(c2nc(Nc3ccnc(C(F)(F)F)c3)nc(-c3cccc(C(F)(F)F)n3)n2)C1.S.S
InChIInChI=1S/C22H18F9N7.C21H18F7N7O.C21H19F6N7.2C20H17F6N7O.C20H17F6N7.2H2S/c1-19(22(29,30)31)6-9-38(10-7-19)18-36-16(13-3-2-4-14(34-13)20(23,24)25)35-17(37-18)33-12-5-8-32-15(11-12)21(26,27)28;1-19(36)6-8-35(10-13(19)22)18-33-16(12-3-2-4-14(31-12)20(23,24)25)32-17(34-18)30-11-5-7-29-15(9-11)21(26,27)28;1-12-6-9-34(10-7-12)19-32-17(14-3-2-4-15(30-14)20(22,23)24)31-18(33-19)29-13-5-8-28-16(11-13)21(25,26)27;2*1-18(34)6-8-33(10-18)17-31-15(12-3-2-4-13(29-12)19(21,22)23)30-16(32-17)28-11-5-7-27-14(9-11)20(24,25)26;1-11-6-8-33(10-11)18-31-16(13-3-2-4-14(29-13)19(21,22)23)30-17(32-18)28-12-5-7-27-15(9-12)20(24,25)26;;/h2-5,8,11H,6-7,9-10H2,1H3,(H,32,33,35,36,37);2-5,7,9,13,36H,6,8,10H2,1H3,(H,29,30,32,33,34);2-5,8,11-12H,6-7,9-10H2,1H3,(H,28,29,31,32,33);2*2-5,7,9,34H,6,8,10H2,1H3,(H,27,28,30,31,32);2-5,7,9,11H,6,8,10H2,1H3,(H,27,28,30,31,32);2*1H2/t;;;18-;;11-;;/m...0.0../s1
InChIKeyBXTDLWLIPMJORR-NYODGZBXSA-N
XLogP29.36
TPSA539.01 Ų
H-Bond Donors9
H-Bond Acceptors45
Rotatable Bonds24
Heavy Atoms211
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003060.59
LogP ≤ 529.36
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1045

Analyze 3-fluoro-4-methyl-1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]piperidin-4-ol;4-(4-methylpiperidin-1-yl)-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;4-[(3S)-3-methylpyrrolidin-1-yl]-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;4-[4-methyl-4-(trifluoromethyl)piperidin-1-yl]-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;3-methyl-1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]pyrrolidin-3-ol;(3S)-3-methyl-1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]pyrrolidin-3-ol;sulfane with MolForge

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Launch Full Analysis

Related Compounds

(3S)-3-(trifluoromethyl)-1-[4-[6-(trifluoromethyl)pyridin-2-yl]-6-[[2-(trifluoromethyl)pyridin-4-yl]amino]-1,3,5-triazin-2-yl]pyrrolidin-3-ol
CID 134197902
4-(Trifluoromethyl)-1-[4-[6-(trifluoromethyl)pyridin-2-yl]-6-[[2-(trifluoromethyl)pyridin-4-yl]amino]-1,3,5-triazin-2-yl]piperidin-4-ol
CID 134197857
(3R)-3-(trifluoromethyl)-1-[4-[6-(trifluoromethyl)pyridin-2-yl]-6-[[2-(trifluoromethyl)pyridin-4-yl]amino]-1,3,5-triazin-2-yl]pyrrolidin-3-ol
CID 134197878
3-(Trifluoromethyl)-1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]pyrrolidin-3-ol
CID 134197889
2-[2-[[3-[2-(3,3-difluoropyrrolidin-1-yl)-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]pyrimidin-4-yl]piperidin-1-yl]methyl]pyrrolidin-1-yl]-6-piperidin-3-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidin-4-amine
CID 144740221
Ethane;3-(trifluoromethyl)-1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]pyrrolidin-3-ol
CID 145445496
2-[1-[4-[6-(Trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]imidazol-2-yl]propan-2-ol
CID 156225473
4-(3-tert-butylazetidin-1-yl)-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;4-[(3R)-3-methylpyrrolidin-1-yl]-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;4-[(3S)-3-methylpyrrolidin-1-yl]-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;4-piperidin-1-yl-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;sulfane;2-[1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]azetidin-2-yl]propan-2-ol;2-[1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]aziridin-2-yl]propan-2-ol
CID 157815859
1-[[4-[3-Deuterio-6-(trifluoromethyl)-2-pyridinyl]-6-[(2-methyl-4-pyridinyl)amino]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol;1-[[4-[(3-fluoro-2-methyl-4-pyridinyl)amino]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol;1-[[4-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]-6-[(2,3,5-trideuterio-6-methyl-4-pyridinyl)amino]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol;2-methyl-1-[[4-[(2-methyl-4-pyridinyl)amino]-6-[3,4,5-trideuterio-6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]propan-2-ol;2-methyl-1-[[4-[(2,3,5-trideuterio-6-methyl-4-pyridinyl)amino]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]propan-2-ol
CID 157836994
4-(3,3-dimethylazetidin-1-yl)-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine;4-(2,2-dimethylhydrazinyl)-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine;2-N-(2,2-dimethylpropyl)-2-N-ethyl-6-(6-methyl-2-pyridinyl)-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;4-(3-methylazetidin-1-yl)-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine;3-methyl-1-[4-(6-methyl-2-pyridinyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]azetidin-3-ol;6-(6-methyl-2-pyridinyl)-2-N-piperidin-1-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine
CID 158026893
4-(3-fluoro-3-methylpiperidin-1-yl)-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;4-(4-fluoro-4-methylpiperidin-1-yl)-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;4-(3-methylpiperidin-1-yl)-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;4-piperidin-1-yl-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine
CID 158115693
4-(3,3-dimethylazetidin-1-yl)-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine;4-(2,2-dimethylhydrazinyl)-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine;2-N-(2,2-dimethylpropyl)-2-N-ethyl-6-(6-methyl-2-pyridinyl)-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;4-(3-methylazetidin-1-yl)-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine;3-methyl-1-[4-(6-methyl-2-pyridinyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]azetidin-3-ol;2-N-[(2-methylpropan-2-yl)oxy]-6-(6-methyl-2-pyridinyl)-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;6-(6-methyl-2-pyridinyl)-2-N-piperidin-1-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine
CID 158948087

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyl-1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]piperidin-4-ol;4-(4-methylpiperidin-1-yl)-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;4-[(3S)-3-methylpyrrolidin-1-yl]-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;4-[4-methyl-4-(trifluoromethyl)piperidin-1-yl]-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;3-methyl-1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]pyrrolidin-3-ol;(3S)-3-methyl-1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]pyrrolidin-3-ol;sulfane?
The IUPAC name of 3-fluoro-4-methyl-1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]piperidin-4-ol;4-(4-methylpiperidin-1-yl)-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;4-[(3S)-3-methylpyrrolidin-1-yl]-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;4-[4-methyl-4-(trifluoromethyl)piperidin-1-yl]-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;3-methyl-1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]pyrrolidin-3-ol;(3S)-3-methyl-1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]pyrrolidin-3-ol;sulfane (CID 157495214) is 3-fluoro-4-methyl-1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]piperidin-4-ol;4-(4-methylpiperidin-1-yl)-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;4-[(3S)-3-methylpyrrolidin-1-yl]-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;4-[4-methyl-4-(trifluoromethyl)piperidin-1-yl]-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;3-methyl-1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]pyrrolidin-3-ol;(3S)-3-methyl-1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]pyrrolidin-3-ol;sulfane.
What is the SMILES notation for 3-fluoro-4-methyl-1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]piperidin-4-ol;4-(4-methylpiperidin-1-yl)-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;4-[(3S)-3-methylpyrrolidin-1-yl]-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;4-[4-methyl-4-(trifluoromethyl)piperidin-1-yl]-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;3-methyl-1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]pyrrolidin-3-ol;(3S)-3-methyl-1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]pyrrolidin-3-ol;sulfane?
The canonical SMILES for 3-fluoro-4-methyl-1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]piperidin-4-ol;4-(4-methylpiperidin-1-yl)-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;4-[(3S)-3-methylpyrrolidin-1-yl]-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;4-[4-methyl-4-(trifluoromethyl)piperidin-1-yl]-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;3-methyl-1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]pyrrolidin-3-ol;(3S)-3-methyl-1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]pyrrolidin-3-ol;sulfane is CC1(C(F)(F)F)CCN(c2nc(Nc3ccnc(C(F)(F)F)c3)nc(-c3cccc(C(F)(F)F)n3)n2)CC1.CC1(O)CCN(c2nc(Nc3ccnc(C(F)(F)F)c3)nc(-c3cccc(C(F)(F)F)n3)n2)C1.CC1(O)CCN(c2nc(Nc3ccnc(C(F)(F)F)c3)nc(-c3cccc(C(F)(F)F)n3)n2)CC1F.CC1CCN(c2nc(Nc3ccnc(C(F)(F)F)c3)nc(-c3cccc(C(F)(F)F)n3)n2)CC1.C[C@H]1CCN(c2nc(Nc3ccnc(C(F)(F)F)c3)nc(-c3cccc(C(F)(F)F)n3)n2)C1.C[C@]1(O)CCN(c2nc(Nc3ccnc(C(F)(F)F)c3)nc(-c3cccc(C(F)(F)F)n3)n2)C1.S.S.
What is the InChIKey of 3-fluoro-4-methyl-1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]piperidin-4-ol;4-(4-methylpiperidin-1-yl)-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;4-[(3S)-3-methylpyrrolidin-1-yl]-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;4-[4-methyl-4-(trifluoromethyl)piperidin-1-yl]-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;3-methyl-1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]pyrrolidin-3-ol;(3S)-3-methyl-1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]pyrrolidin-3-ol;sulfane?
The InChIKey is BXTDLWLIPMJORR-NYODGZBXSA-N. The full InChI is InChI=1S/C22H18F9N7.C21H18F7N7O.C21H19F6N7.2C20H17F6N7O.C20H17F6N7.2H2S/c1-19(22(29,30)31)6-9-38(10-7-19)18-36-16(13-3-2-4-14(34-13)20(23,24)25)35-17(37-18)33-12-5-8-32-15(11-12)21(26,27)28;1-19(36)6-8-35(10-13(19)22)18-33-16(12-3-2-4-14(31-12)20(23,24)25)32-17(34-18)30-11-5-7-29-15(9-11)21(26,27)28;1-12-6-9-34(10-7-12)19-32-17(14-3-2-4-15(30-14)20(22,23)24)31-18(33-19)29-13-5-8-28-16(11-13)21(25,26)27;2*1-18(34)6-8-33(10-18)17-31-15(12-3-2-4-13(29-12)19(21,22)23)30-16(32-17)28-11-5-7-27-14(9-11)20(24,25)26;1-11-6-8-33(10-11)18-31-16(13-3-2-4-14(29-13)19(21,22)23)30-17(32-18)28-12-5-7-27-15(9-12)20(24,25)26;;/h2-5,8,11H,6-7,9-10H2,1H3,(H,32,33,35,36,37);2-5,7,9,13,36H,6,8,10H2,1H3,(H,29,30,32,33,34);2-5,8,11-12H,6-7,9-10H2,1H3,(H,28,29,31,32,33);2*2-5,7,9,34H,6,8,10H2,1H3,(H,27,28,30,31,32);2-5,7,9,11H,6,8,10H2,1H3,(H,27,28,30,31,32);2*1H2/t;;;18-;;11-;;/m...0.0../s1.
What are the key properties of 3-fluoro-4-methyl-1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]piperidin-4-ol;4-(4-methylpiperidin-1-yl)-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;4-[(3S)-3-methylpyrrolidin-1-yl]-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;4-[4-methyl-4-(trifluoromethyl)piperidin-1-yl]-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;3-methyl-1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]pyrrolidin-3-ol;(3S)-3-methyl-1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]pyrrolidin-3-ol;sulfane?
3-fluoro-4-methyl-1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]piperidin-4-ol;4-(4-methylpiperidin-1-yl)-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;4-[(3S)-3-methylpyrrolidin-1-yl]-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;4-[4-methyl-4-(trifluoromethyl)piperidin-1-yl]-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;3-methyl-1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]pyrrolidin-3-ol;(3S)-3-methyl-1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]pyrrolidin-3-ol;sulfane has a molecular weight of 3060.59 g/mol, XLogP of 29.36, 24 rotatable bonds, 9 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyl-1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]piperidin-4-ol;4-(4-methylpiperidin-1-yl)-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;4-[(3S)-3-methylpyrrolidin-1-yl]-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;4-[4-methyl-4-(trifluoromethyl)piperidin-1-yl]-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;3-methyl-1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]pyrrolidin-3-ol;(3S)-3-methyl-1-[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]pyrrolidin-3-ol;sulfane is sourced from PubChem (CID 157495214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).