4-[(2R)-2-tert-butylpyrrolidin-1-yl]-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine;4-[(E)-3,3-dimethylbut-1-enyl]-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine;4-(3,3-dimethylbut-1-ynyl)-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine;4-(3-fluoro-3-methylazetidin-1-yl)-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine;4-methyl-1-[4-(6-methyl-2-pyridinyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]piperidin-4-ol;(3S,4R)-4-methyl-1-[4-(6-methyl-2-pyridinyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]pyrrolidin-3-ol

C125H125F19N40O2 — CID 161363968

IUPAC4-[(2R)-2-tert-butylpyrrolidin-1-yl]-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine;4-[(E)-3,3-dimethylbut-1-enyl]-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine;4-(3,3-dimethylbut-1-ynyl)-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine;4-(3-fluoro-3-methylazetidin-1-yl)-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine;4-methyl-1-[4-(6-methyl-2-pyridinyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]piperidin-4-ol;(3S,4R)-4-methyl-1-[4-(6-methyl-2-pyridinyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]pyrrolidin-3-ol
SMILESCc1cccc(-c2nc(/C=C/C(C)(C)C)nc(Nc3ccnc(C(F)(F)F)c3)n2)n1.Cc1cccc(-c2nc(C#CC(C)(C)C)nc(Nc3ccnc(C(F)(F)F)c3)n2)n1.Cc1cccc(-c2nc(Nc3ccnc(C(F)(F)F)c3)nc(N3CC(C)(F)C3)n2)n1.Cc1cccc(-c2nc(Nc3ccnc(C(F)(F)F)c3)nc(N3CCC(C)(O)CC3)n2)n1.Cc1cccc(-c2nc(Nc3ccnc(C(F)(F)F)c3)nc(N3CCC[C@@H]3C(C)(C)C)n2)n1.Cc1cccc(-c2nc(Nc3ccnc(C(F)(F)F)c3)nc(N3C[C@@H](C)[C@H](O)C3)n2)n1
InChIInChI=1S/C23H26F3N7.C21H22F3N7O.C21H21F3N6.C21H19F3N6.C20H20F3N7O.C19H17F4N7/c1-14-7-5-8-16(28-14)19-30-20(29-15-10-11-27-17(13-15)23(24,25)26)32-21(31-19)33-12-6-9-18(33)22(2,3)4;1-13-4-3-5-15(26-13)17-28-18(27-14-6-9-25-16(12-14)21(22,23)24)30-19(29-17)31-10-7-20(2,32)8-11-31;2*1-13-6-5-7-15(26-13)18-28-17(8-10-20(2,3)4)29-19(30-18)27-14-9-11-25-16(12-14)21(22,23)24;1-11-9-30(10-15(11)31)19-28-17(14-5-3-4-12(2)25-14)27-18(29-19)26-13-6-7-24-16(8-13)20(21,22)23;1-11-4-3-5-13(25-11)15-27-16(29-17(28-15)30-9-18(2,20)10-30)26-12-6-7-24-14(8-12)19(21,22)23/h5,7-8,10-11,13,18H,6,9,12H2,1-4H3,(H,27,29,30,31,32);3-6,9,12,32H,7-8,10-11H2,1-2H3,(H,25,27,28,29,30);5-12H,1-4H3,(H,25,27,28,29,30);5-7,9,11-12H,1-4H3,(H,25,27,28,29,30);3-8,11,15,31H,9-10H2,1-2H3,(H,24,26,27,28,29);3-8H,9-10H2,1-2H3,(H,24,26,27,28,29)/b;;10-8+;;;/t18-;;;;11-,15-;/m1...1./s1
InChIKeyVPOIPNRPRCRFBZ-DJRZBONESA-N
MW2580.61 g/mol
LogP26.58
Rot. Bonds23

About 4-[(2R)-2-tert-butylpyrrolidin-1-yl]-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine;4-[(E)-3,3-dimethylbut-1-enyl]-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine;4-(3,3-dimethylbut-1-ynyl)-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine;4-(3-fluoro-3-methylazetidin-1-yl)-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine;4-methyl-1-[4-(6-methyl-2-pyridinyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]piperidin-4-ol;(3S,4R)-4-methyl-1-[4-(6-methyl-2-pyridinyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]pyrrolidin-3-ol

4-[(2R)-2-tert-butylpyrrolidin-1-yl]-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine;4-[(E)-3,3-dimethylbut-1-enyl]-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine;4-(3,3-dimethylbut-1-ynyl)-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine;4-(3-fluoro-3-methylazetidin-1-yl)-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine;4-methyl-1-[4-(6-methyl-2-pyridinyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]piperidin-4-ol;(3S,4R)-4-methyl-1-[4-(6-methyl-2-pyridinyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]pyrrolidin-3-ol (PubChem CID 161363968) has the molecular formula C125H125F19N40O2 and a molecular weight of 2580.61 g/mol. Its IUPAC name is 4-[(2R)-2-tert-butylpyrrolidin-1-yl]-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine;4-[(E)-3,3-dimethylbut-1-enyl]-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine;4-(3,3-dimethylbut-1-ynyl)-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine;4-(3-fluoro-3-methylazetidin-1-yl)-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine;4-methyl-1-[4-(6-methyl-2-pyridinyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]piperidin-4-ol;(3S,4R)-4-methyl-1-[4-(6-methyl-2-pyridinyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name4-[(2R)-2-tert-butylpyrrolidin-1-yl]-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine;4-[(E)-3,3-dimethylbut-1-enyl]-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine;4-(3,3-dimethylbut-1-ynyl)-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine;4-(3-fluoro-3-methylazetidin-1-yl)-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine;4-methyl-1-[4-(6-methyl-2-pyridinyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]piperidin-4-ol;(3S,4R)-4-methyl-1-[4-(6-methyl-2-pyridinyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]pyrrolidin-3-ol
PubChem CID161363968
Molecular FormulaC125H125F19N40O2
Molecular Weight2580.61 g/mol
Exact Mass2579.06
IUPAC Name4-[(2R)-2-tert-butylpyrrolidin-1-yl]-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine;4-[(E)-3,3-dimethylbut-1-enyl]-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine;4-(3,3-dimethylbut-1-ynyl)-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine;4-(3-fluoro-3-methylazetidin-1-yl)-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine;4-methyl-1-[4-(6-methyl-2-pyridinyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]piperidin-4-ol;(3S,4R)-4-methyl-1-[4-(6-methyl-2-pyridinyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]pyrrolidin-3-ol
SMILESCc1cccc(-c2nc(/C=C/C(C)(C)C)nc(Nc3ccnc(C(F)(F)F)c3)n2)n1.Cc1cccc(-c2nc(C#CC(C)(C)C)nc(Nc3ccnc(C(F)(F)F)c3)n2)n1.Cc1cccc(-c2nc(Nc3ccnc(C(F)(F)F)c3)nc(N3CC(C)(F)C3)n2)n1.Cc1cccc(-c2nc(Nc3ccnc(C(F)(F)F)c3)nc(N3CCC(C)(O)CC3)n2)n1.Cc1cccc(-c2nc(Nc3ccnc(C(F)(F)F)c3)nc(N3CCC[C@@H]3C(C)(C)C)n2)n1.Cc1cccc(-c2nc(Nc3ccnc(C(F)(F)F)c3)nc(N3C[C@@H](C)[C@H](O)C3)n2)n1
InChIInChI=1S/C23H26F3N7.C21H22F3N7O.C21H21F3N6.C21H19F3N6.C20H20F3N7O.C19H17F4N7/c1-14-7-5-8-16(28-14)19-30-20(29-15-10-11-27-17(13-15)23(24,25)26)32-21(31-19)33-12-6-9-18(33)22(2,3)4;1-13-4-3-5-15(26-13)17-28-18(27-14-6-9-25-16(12-14)21(22,23)24)30-19(29-17)31-10-7-20(2,32)8-11-31;2*1-13-6-5-7-15(26-13)18-28-17(8-10-20(2,3)4)29-19(30-18)27-14-9-11-25-16(12-14)21(22,23)24;1-11-9-30(10-15(11)31)19-28-17(14-5-3-4-12(2)25-14)27-18(29-19)26-13-6-7-24-16(8-13)20(21,22)23;1-11-4-3-5-13(25-11)15-27-16(29-17(28-15)30-9-18(2,20)10-30)26-12-6-7-24-14(8-12)19(21,22)23/h5,7-8,10-11,13,18H,6,9,12H2,1-4H3,(H,27,29,30,31,32);3-6,9,12,32H,7-8,10-11H2,1-2H3,(H,25,27,28,29,30);5-12H,1-4H3,(H,25,27,28,29,30);5-7,9,11-12H,1-4H3,(H,25,27,28,29,30);3-8,11,15,31H,9-10H2,1-2H3,(H,24,26,27,28,29);3-8H,9-10H2,1-2H3,(H,24,26,27,28,29)/b;;10-8+;;;/t18-;;;;11-,15-;/m1...1./s1
InChIKeyVPOIPNRPRCRFBZ-DJRZBONESA-N
XLogP26.58
TPSA512.30 Ų
H-Bond Donors8
H-Bond Acceptors42
Rotatable Bonds23
Heavy Atoms186
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002580.61
LogP ≤ 526.58
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 4-[(2R)-2-tert-butylpyrrolidin-1-yl]-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine;4-[(E)-3,3-dimethylbut-1-enyl]-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine;4-(3,3-dimethylbut-1-ynyl)-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine;4-(3-fluoro-3-methylazetidin-1-yl)-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine;4-methyl-1-[4-(6-methyl-2-pyridinyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]piperidin-4-ol;(3S,4R)-4-methyl-1-[4-(6-methyl-2-pyridinyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]pyrrolidin-3-ol with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-tert-butylpyrrolidin-1-yl]-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine;4-[(E)-3,3-dimethylbut-1-enyl]-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine;4-(3,3-dimethylbut-1-ynyl)-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine;4-(3-fluoro-3-methylazetidin-1-yl)-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine;4-methyl-1-[4-(6-methyl-2-pyridinyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]piperidin-4-ol;(3S,4R)-4-methyl-1-[4-(6-methyl-2-pyridinyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]pyrrolidin-3-ol?
The IUPAC name of 4-[(2R)-2-tert-butylpyrrolidin-1-yl]-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine;4-[(E)-3,3-dimethylbut-1-enyl]-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine;4-(3,3-dimethylbut-1-ynyl)-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine;4-(3-fluoro-3-methylazetidin-1-yl)-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine;4-methyl-1-[4-(6-methyl-2-pyridinyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]piperidin-4-ol;(3S,4R)-4-methyl-1-[4-(6-methyl-2-pyridinyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]pyrrolidin-3-ol (CID 161363968) is 4-[(2R)-2-tert-butylpyrrolidin-1-yl]-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine;4-[(E)-3,3-dimethylbut-1-enyl]-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine;4-(3,3-dimethylbut-1-ynyl)-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine;4-(3-fluoro-3-methylazetidin-1-yl)-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine;4-methyl-1-[4-(6-methyl-2-pyridinyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]piperidin-4-ol;(3S,4R)-4-methyl-1-[4-(6-methyl-2-pyridinyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]pyrrolidin-3-ol.
What is the SMILES notation for 4-[(2R)-2-tert-butylpyrrolidin-1-yl]-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine;4-[(E)-3,3-dimethylbut-1-enyl]-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine;4-(3,3-dimethylbut-1-ynyl)-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine;4-(3-fluoro-3-methylazetidin-1-yl)-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine;4-methyl-1-[4-(6-methyl-2-pyridinyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]piperidin-4-ol;(3S,4R)-4-methyl-1-[4-(6-methyl-2-pyridinyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]pyrrolidin-3-ol?
The canonical SMILES for 4-[(2R)-2-tert-butylpyrrolidin-1-yl]-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine;4-[(E)-3,3-dimethylbut-1-enyl]-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine;4-(3,3-dimethylbut-1-ynyl)-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine;4-(3-fluoro-3-methylazetidin-1-yl)-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine;4-methyl-1-[4-(6-methyl-2-pyridinyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]piperidin-4-ol;(3S,4R)-4-methyl-1-[4-(6-methyl-2-pyridinyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]pyrrolidin-3-ol is Cc1cccc(-c2nc(/C=C/C(C)(C)C)nc(Nc3ccnc(C(F)(F)F)c3)n2)n1.Cc1cccc(-c2nc(C#CC(C)(C)C)nc(Nc3ccnc(C(F)(F)F)c3)n2)n1.Cc1cccc(-c2nc(Nc3ccnc(C(F)(F)F)c3)nc(N3CC(C)(F)C3)n2)n1.Cc1cccc(-c2nc(Nc3ccnc(C(F)(F)F)c3)nc(N3CCC(C)(O)CC3)n2)n1.Cc1cccc(-c2nc(Nc3ccnc(C(F)(F)F)c3)nc(N3CCC[C@@H]3C(C)(C)C)n2)n1.Cc1cccc(-c2nc(Nc3ccnc(C(F)(F)F)c3)nc(N3C[C@@H](C)[C@H](O)C3)n2)n1.
What is the InChIKey of 4-[(2R)-2-tert-butylpyrrolidin-1-yl]-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine;4-[(E)-3,3-dimethylbut-1-enyl]-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine;4-(3,3-dimethylbut-1-ynyl)-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine;4-(3-fluoro-3-methylazetidin-1-yl)-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine;4-methyl-1-[4-(6-methyl-2-pyridinyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]piperidin-4-ol;(3S,4R)-4-methyl-1-[4-(6-methyl-2-pyridinyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]pyrrolidin-3-ol?
The InChIKey is VPOIPNRPRCRFBZ-DJRZBONESA-N. The full InChI is InChI=1S/C23H26F3N7.C21H22F3N7O.C21H21F3N6.C21H19F3N6.C20H20F3N7O.C19H17F4N7/c1-14-7-5-8-16(28-14)19-30-20(29-15-10-11-27-17(13-15)23(24,25)26)32-21(31-19)33-12-6-9-18(33)22(2,3)4;1-13-4-3-5-15(26-13)17-28-18(27-14-6-9-25-16(12-14)21(22,23)24)30-19(29-17)31-10-7-20(2,32)8-11-31;2*1-13-6-5-7-15(26-13)18-28-17(8-10-20(2,3)4)29-19(30-18)27-14-9-11-25-16(12-14)21(22,23)24;1-11-9-30(10-15(11)31)19-28-17(14-5-3-4-12(2)25-14)27-18(29-19)26-13-6-7-24-16(8-13)20(21,22)23;1-11-4-3-5-13(25-11)15-27-16(29-17(28-15)30-9-18(2,20)10-30)26-12-6-7-24-14(8-12)19(21,22)23/h5,7-8,10-11,13,18H,6,9,12H2,1-4H3,(H,27,29,30,31,32);3-6,9,12,32H,7-8,10-11H2,1-2H3,(H,25,27,28,29,30);5-12H,1-4H3,(H,25,27,28,29,30);5-7,9,11-12H,1-4H3,(H,25,27,28,29,30);3-8,11,15,31H,9-10H2,1-2H3,(H,24,26,27,28,29);3-8H,9-10H2,1-2H3,(H,24,26,27,28,29)/b;;10-8+;;;/t18-;;;;11-,15-;/m1...1./s1.
What are the key properties of 4-[(2R)-2-tert-butylpyrrolidin-1-yl]-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine;4-[(E)-3,3-dimethylbut-1-enyl]-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine;4-(3,3-dimethylbut-1-ynyl)-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine;4-(3-fluoro-3-methylazetidin-1-yl)-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine;4-methyl-1-[4-(6-methyl-2-pyridinyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]piperidin-4-ol;(3S,4R)-4-methyl-1-[4-(6-methyl-2-pyridinyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]pyrrolidin-3-ol?
4-[(2R)-2-tert-butylpyrrolidin-1-yl]-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine;4-[(E)-3,3-dimethylbut-1-enyl]-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine;4-(3,3-dimethylbut-1-ynyl)-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine;4-(3-fluoro-3-methylazetidin-1-yl)-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine;4-methyl-1-[4-(6-methyl-2-pyridinyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]piperidin-4-ol;(3S,4R)-4-methyl-1-[4-(6-methyl-2-pyridinyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]pyrrolidin-3-ol has a molecular weight of 2580.61 g/mol, XLogP of 26.58, 23 rotatable bonds, 8 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-tert-butylpyrrolidin-1-yl]-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine;4-[(E)-3,3-dimethylbut-1-enyl]-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine;4-(3,3-dimethylbut-1-ynyl)-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine;4-(3-fluoro-3-methylazetidin-1-yl)-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine;4-methyl-1-[4-(6-methyl-2-pyridinyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]piperidin-4-ol;(3S,4R)-4-methyl-1-[4-(6-methyl-2-pyridinyl)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]pyrrolidin-3-ol is sourced from PubChem (CID 161363968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).