5-[3-[4-(1-benzofuran-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;5-[3-[4-(1-benzothiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;5-[3-[4-(3-chlorothiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;2-methyl-5-[3-[4-(4-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-[3-methyl-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;3-methyl-5-[3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-(1H-pyrrol-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid

C178H118ClF24N15O15S2 — CID 162143276

IUPAC5-[3-[4-(1-benzofuran-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;5-[3-[4-(1-benzothiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;5-[3-[4-(3-chlorothiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;2-methyl-5-[3-[4-(4-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-[3-methyl-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;3-methyl-5-[3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-(1H-pyrrol-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid
SMILESCc1cc(-c2cc(C(F)(F)F)nc(-c3cccc(-c4ccc(C)c(C(=O)O)c4)c3)n2)cc(C(F)(F)F)c1.Cc1cc(C(=O)O)cc(-c2cccc(-c3nc(-c4ccccc4)cc(C(F)(F)F)n3)c2)c1.Cc1ccc(-c2cc(C(F)(F)F)nc(-c3cccc(-c4ccc(C)c(C(=O)O)c4)c3)n2)cc1.Cc1ccc(-c2cccc(-c3nc(-c4cc5ccccc5o4)cc(C(F)(F)F)n3)c2)cc1C(=O)O.Cc1ccc(-c2cccc(-c3nc(-c4cc5ccccc5s4)cc(C(F)(F)F)n3)c2)cc1C(=O)O.Cc1ccc(-c2cccc(-c3nc(-c4ccc[nH]4)cc(C(F)(F)F)n3)c2)cc1C(=O)O.Cc1ccc(-c2cccc(-c3nc(-c4sccc4Cl)cc(C(F)(F)F)n3)c2)cc1C(=O)O
InChIInChI=1S/C27H18F6N2O2.C27H17F3N2O3.C27H17F3N2O2S.C26H19F3N2O2.C25H17F3N2O2.C23H14ClF3N2O2S.C23H16F3N3O2/c1-14-8-19(11-20(9-14)26(28,29)30)22-13-23(27(31,32)33)35-24(34-22)18-5-3-4-16(10-18)17-7-6-15(2)21(12-17)25(36)37;2*1-15-9-10-17(12-20(15)26(33)34)16-6-4-7-19(11-16)25-31-21(14-24(32-25)27(28,29)30)23-13-18-5-2-3-8-22(18)35-23;1-15-6-9-17(10-7-15)22-14-23(26(27,28)29)31-24(30-22)20-5-3-4-18(12-20)19-11-8-16(2)21(13-19)25(32)33;1-15-10-19(13-20(11-15)24(31)32)17-8-5-9-18(12-17)23-29-21(16-6-3-2-4-7-16)14-22(30-23)25(26,27)28;1-12-5-6-14(10-16(12)22(30)31)13-3-2-4-15(9-13)21-28-18(20-17(24)7-8-32-20)11-19(29-21)23(25,26)27;1-13-7-8-15(11-17(13)22(30)31)14-4-2-5-16(10-14)21-28-19(18-6-3-9-27-18)12-20(29-21)23(24,25)26/h3-13H,1-2H3,(H,36,37);2*2-14H,1H3,(H,33,34);3-14H,1-2H3,(H,32,33);2-14H,1H3,(H,31,32);2-11H,1H3,(H,30,31);2-12,27H,1H3,(H,30,31)
InChIKeyZKFDNNQGJGSHFD-UHFFFAOYSA-N
MW3262.53 g/mol
LogP49.16
Rot. Bonds28

About 5-[3-[4-(1-benzofuran-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;5-[3-[4-(1-benzothiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;5-[3-[4-(3-chlorothiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;2-methyl-5-[3-[4-(4-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-[3-methyl-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;3-methyl-5-[3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-(1H-pyrrol-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid

5-[3-[4-(1-benzofuran-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;5-[3-[4-(1-benzothiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;5-[3-[4-(3-chlorothiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;2-methyl-5-[3-[4-(4-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-[3-methyl-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;3-methyl-5-[3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-(1H-pyrrol-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid (PubChem CID 162143276) has the molecular formula C178H118ClF24N15O15S2 and a molecular weight of 3262.53 g/mol. Its IUPAC name is 5-[3-[4-(1-benzofuran-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;5-[3-[4-(1-benzothiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;5-[3-[4-(3-chlorothiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;2-methyl-5-[3-[4-(4-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-[3-methyl-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;3-methyl-5-[3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-(1H-pyrrol-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid.

Molecular Properties

Compound Name5-[3-[4-(1-benzofuran-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;5-[3-[4-(1-benzothiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;5-[3-[4-(3-chlorothiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;2-methyl-5-[3-[4-(4-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-[3-methyl-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;3-methyl-5-[3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-(1H-pyrrol-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid
PubChem CID162143276
Molecular FormulaC178H118ClF24N15O15S2
Molecular Weight3262.53 g/mol
Exact Mass3259.77
IUPAC Name5-[3-[4-(1-benzofuran-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;5-[3-[4-(1-benzothiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;5-[3-[4-(3-chlorothiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;2-methyl-5-[3-[4-(4-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-[3-methyl-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;3-methyl-5-[3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-(1H-pyrrol-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid
SMILESCc1cc(-c2cc(C(F)(F)F)nc(-c3cccc(-c4ccc(C)c(C(=O)O)c4)c3)n2)cc(C(F)(F)F)c1.Cc1cc(C(=O)O)cc(-c2cccc(-c3nc(-c4ccccc4)cc(C(F)(F)F)n3)c2)c1.Cc1ccc(-c2cc(C(F)(F)F)nc(-c3cccc(-c4ccc(C)c(C(=O)O)c4)c3)n2)cc1.Cc1ccc(-c2cccc(-c3nc(-c4cc5ccccc5o4)cc(C(F)(F)F)n3)c2)cc1C(=O)O.Cc1ccc(-c2cccc(-c3nc(-c4cc5ccccc5s4)cc(C(F)(F)F)n3)c2)cc1C(=O)O.Cc1ccc(-c2cccc(-c3nc(-c4ccc[nH]4)cc(C(F)(F)F)n3)c2)cc1C(=O)O.Cc1ccc(-c2cccc(-c3nc(-c4sccc4Cl)cc(C(F)(F)F)n3)c2)cc1C(=O)O
InChIInChI=1S/C27H18F6N2O2.C27H17F3N2O3.C27H17F3N2O2S.C26H19F3N2O2.C25H17F3N2O2.C23H14ClF3N2O2S.C23H16F3N3O2/c1-14-8-19(11-20(9-14)26(28,29)30)22-13-23(27(31,32)33)35-24(34-22)18-5-3-4-16(10-18)17-7-6-15(2)21(12-17)25(36)37;2*1-15-9-10-17(12-20(15)26(33)34)16-6-4-7-19(11-16)25-31-21(14-24(32-25)27(28,29)30)23-13-18-5-2-3-8-22(18)35-23;1-15-6-9-17(10-7-15)22-14-23(26(27,28)29)31-24(30-22)20-5-3-4-18(12-20)19-11-8-16(2)21(13-19)25(32)33;1-15-10-19(13-20(11-15)24(31)32)17-8-5-9-18(12-17)23-29-21(16-6-3-2-4-7-16)14-22(30-23)25(26,27)28;1-12-5-6-14(10-16(12)22(30)31)13-3-2-4-15(9-13)21-28-18(20-17(24)7-8-32-20)11-19(29-21)23(25,26)27;1-13-7-8-15(11-17(13)22(30)31)14-4-2-5-16(10-14)21-28-19(18-6-3-9-27-18)12-20(29-21)23(24,25)26/h3-13H,1-2H3,(H,36,37);2*2-14H,1H3,(H,33,34);3-14H,1-2H3,(H,32,33);2-14H,1H3,(H,31,32);2-11H,1H3,(H,30,31);2-12,27H,1H3,(H,30,31)
InChIKeyZKFDNNQGJGSHFD-UHFFFAOYSA-N
XLogP49.16
TPSA470.49 Ų
H-Bond Donors8
H-Bond Acceptors24
Rotatable Bonds28
Heavy Atoms235
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003262.53
LogP ≤ 549.16
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1024

Analyze 5-[3-[4-(1-benzofuran-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;5-[3-[4-(1-benzothiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;5-[3-[4-(3-chlorothiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;2-methyl-5-[3-[4-(4-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-[3-methyl-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;3-methyl-5-[3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-(1H-pyrrol-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid with MolForge

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Related Compounds

CID 157886959
CID 157886959
2-[3-(2-Chloro-4-methylphenyl)phenyl]-4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidine;2-[3-(2-fluoro-5-methylphenyl)phenyl]-4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidine;3-[3-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-5-methylbenzoic acid;5-[3-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;2-methyl-5-[3-[4-(4-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid
CID 159216710
3-[[4-(1-benzofuran-2-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-4-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide;3-[[4-(furan-2-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-4-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide;4-methyl-3-[(4-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]-N-[3-(trifluoromethoxy)phenyl]benzamide;4-methyl-3-[(4-thiophen-2-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 159452581
2-[3-(4-fluoro-3-methylphenyl)phenoxy]-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidine;N-[3-(4-fluoro-3-methylphenyl)phenyl]-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine;2-[3-(4-fluoro-3-methylphenyl)phenyl]sulfanyl-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidine;3-[3-[4-(furan-3-yl)-6-methylpyrimidin-2-yl]phenyl]-5-methylbenzoic acid;4-(6-methyl-3-pyridinyl)-2-[3-[4-methyl-3-(2H-tetrazol-5-yl)phenyl]phenyl]-6-(trifluoromethyl)pyrimidine;2-methyl-5-[3-[4-thiophen-3-yl-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid
CID 160151150
2-[3-(2-Fluoro-5-methylphenyl)phenyl]-4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidine;3-[3-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-5-methylbenzoic acid;tris(5-[3-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid);2-methyl-5-[3-[4-(4-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid
CID 160295424
5-[3-[4-(4-Chloro-2-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;5-[3-[4-(3-chlorothiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;2-[3-(2-fluoro-5-methylphenyl)phenyl]-4-(furan-3-yl)-6-(trifluoromethyl)pyrimidine;4-(furan-3-yl)-2-[3-(3-methylphenyl)phenyl]-6-(trifluoromethyl)pyrimidine;3-[3-[4-(furan-3-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-5-methylbenzoic acid;2-methyl-5-[3-[4-(4-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-(5-methylthiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-(1,3-thiazol-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid
CID 160839527
5-[3-[4-(1-Benzofuran-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;5-[3-[4-(1-benzothiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;5-[3-[4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;5-[3-[4-(3,4-dimethylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;5-[3-[4-(2-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;5-[3-[4-(2-fluoro-3-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;2-methyl-5-[3-[4-(4-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid
CID 161136738
5-[3-[4-(1-benzofuran-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;5-[3-[4-(1-benzothiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;5-[3-[4-(2-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;2-methyl-5-[3-[4-(4-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-[3-methyl-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;3-methyl-5-[3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-(1H-pyrrol-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid
CID 161682485
(5Z)-5-[[2-[4-[[[2-(1-benzofuran-2-yl)-3-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[2-(furan-2-yl)-3-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[(2-thiophen-3-yl-3-pyridinyl)methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[2-[2-(trifluoromethyl)phenyl]-3-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 161777635
5-[3-[4-(4-Chloro-2-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;2-[3-(2-fluoro-5-methylphenyl)phenyl]-4-(furan-3-yl)-6-(trifluoromethyl)pyrimidine;4-(furan-3-yl)-2-[3-(3-methylphenyl)phenyl]-6-(trifluoromethyl)pyrimidine;3-[3-[4-(furan-3-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-5-methylbenzoic acid;2-methyl-5-[3-[4-(4-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-(5-methylthiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-(1,3-thiazol-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid
CID 161897443
(5Z)-5-[[2-[[4-[[6-(furan-2-yl)-2-pyridinyl]methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[4-[[6-(furan-3-yl)-2-pyridinyl]methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[4-[(3-thiophen-2-ylphenyl)methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[4-[1-(6-thiophen-3-yl-2-pyridinyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;bis((5Z)-5-[[2-[[4-[(6-thiophen-2-yl-2-pyridinyl)methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione);(5Z)-5-[[2-[[4-[(6-thiophen-3-yl-2-pyridinyl)methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[4-[[6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione
CID 162027596
5-[4-(1-benzothiophen-2-yl)-5-fluoro-6-[(3-methyl-2-bicyclo[2.2.2]octanyl)methyl]pyrimidin-2-yl]-7H-pyrrolo[2,3-d]pyrimidine;5-[4-(5-chlorothiophen-2-yl)-6-[(3-methyl-2-bicyclo[2.2.2]octanyl)methyl]pyrimidin-2-yl]-7H-pyrrolo[2,3-d]pyrimidine;5-[4-(5-cyclopropylfuran-2-yl)-6-[(3-methyl-2-bicyclo[2.2.2]octanyl)methyl]pyrimidin-2-yl]-7H-pyrrolo[2,3-d]pyrimidine;5-[4-(5-cyclopropylthiophen-2-yl)-6-[(3-methyl-2-bicyclo[2.2.2]octanyl)methyl]pyrimidin-2-yl]-7H-pyrrolo[2,3-d]pyrimidine;5-[4-[(3-methyl-2-bicyclo[2.2.2]octanyl)methyl]-6-(5-methylthiophen-2-yl)pyrimidin-2-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 160341616

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(1-benzofuran-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;5-[3-[4-(1-benzothiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;5-[3-[4-(3-chlorothiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;2-methyl-5-[3-[4-(4-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-[3-methyl-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;3-methyl-5-[3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-(1H-pyrrol-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid?
The IUPAC name of 5-[3-[4-(1-benzofuran-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;5-[3-[4-(1-benzothiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;5-[3-[4-(3-chlorothiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;2-methyl-5-[3-[4-(4-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-[3-methyl-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;3-methyl-5-[3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-(1H-pyrrol-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid (CID 162143276) is 5-[3-[4-(1-benzofuran-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;5-[3-[4-(1-benzothiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;5-[3-[4-(3-chlorothiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;2-methyl-5-[3-[4-(4-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-[3-methyl-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;3-methyl-5-[3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-(1H-pyrrol-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid.
What is the SMILES notation for 5-[3-[4-(1-benzofuran-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;5-[3-[4-(1-benzothiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;5-[3-[4-(3-chlorothiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;2-methyl-5-[3-[4-(4-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-[3-methyl-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;3-methyl-5-[3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-(1H-pyrrol-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid?
The canonical SMILES for 5-[3-[4-(1-benzofuran-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;5-[3-[4-(1-benzothiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;5-[3-[4-(3-chlorothiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;2-methyl-5-[3-[4-(4-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-[3-methyl-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;3-methyl-5-[3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-(1H-pyrrol-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid is Cc1cc(-c2cc(C(F)(F)F)nc(-c3cccc(-c4ccc(C)c(C(=O)O)c4)c3)n2)cc(C(F)(F)F)c1.Cc1cc(C(=O)O)cc(-c2cccc(-c3nc(-c4ccccc4)cc(C(F)(F)F)n3)c2)c1.Cc1ccc(-c2cc(C(F)(F)F)nc(-c3cccc(-c4ccc(C)c(C(=O)O)c4)c3)n2)cc1.Cc1ccc(-c2cccc(-c3nc(-c4cc5ccccc5o4)cc(C(F)(F)F)n3)c2)cc1C(=O)O.Cc1ccc(-c2cccc(-c3nc(-c4cc5ccccc5s4)cc(C(F)(F)F)n3)c2)cc1C(=O)O.Cc1ccc(-c2cccc(-c3nc(-c4ccc[nH]4)cc(C(F)(F)F)n3)c2)cc1C(=O)O.Cc1ccc(-c2cccc(-c3nc(-c4sccc4Cl)cc(C(F)(F)F)n3)c2)cc1C(=O)O.
What is the InChIKey of 5-[3-[4-(1-benzofuran-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;5-[3-[4-(1-benzothiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;5-[3-[4-(3-chlorothiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;2-methyl-5-[3-[4-(4-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-[3-methyl-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;3-methyl-5-[3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-(1H-pyrrol-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid?
The InChIKey is ZKFDNNQGJGSHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18F6N2O2.C27H17F3N2O3.C27H17F3N2O2S.C26H19F3N2O2.C25H17F3N2O2.C23H14ClF3N2O2S.C23H16F3N3O2/c1-14-8-19(11-20(9-14)26(28,29)30)22-13-23(27(31,32)33)35-24(34-22)18-5-3-4-16(10-18)17-7-6-15(2)21(12-17)25(36)37;2*1-15-9-10-17(12-20(15)26(33)34)16-6-4-7-19(11-16)25-31-21(14-24(32-25)27(28,29)30)23-13-18-5-2-3-8-22(18)35-23;1-15-6-9-17(10-7-15)22-14-23(26(27,28)29)31-24(30-22)20-5-3-4-18(12-20)19-11-8-16(2)21(13-19)25(32)33;1-15-10-19(13-20(11-15)24(31)32)17-8-5-9-18(12-17)23-29-21(16-6-3-2-4-7-16)14-22(30-23)25(26,27)28;1-12-5-6-14(10-16(12)22(30)31)13-3-2-4-15(9-13)21-28-18(20-17(24)7-8-32-20)11-19(29-21)23(25,26)27;1-13-7-8-15(11-17(13)22(30)31)14-4-2-5-16(10-14)21-28-19(18-6-3-9-27-18)12-20(29-21)23(24,25)26/h3-13H,1-2H3,(H,36,37);2*2-14H,1H3,(H,33,34);3-14H,1-2H3,(H,32,33);2-14H,1H3,(H,31,32);2-11H,1H3,(H,30,31);2-12,27H,1H3,(H,30,31).
What are the key properties of 5-[3-[4-(1-benzofuran-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;5-[3-[4-(1-benzothiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;5-[3-[4-(3-chlorothiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;2-methyl-5-[3-[4-(4-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-[3-methyl-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;3-methyl-5-[3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-(1H-pyrrol-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid?
5-[3-[4-(1-benzofuran-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;5-[3-[4-(1-benzothiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;5-[3-[4-(3-chlorothiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;2-methyl-5-[3-[4-(4-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-[3-methyl-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;3-methyl-5-[3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-(1H-pyrrol-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid has a molecular weight of 3262.53 g/mol, XLogP of 49.16, 28 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-(1-benzofuran-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;5-[3-[4-(1-benzothiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;5-[3-[4-(3-chlorothiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;2-methyl-5-[3-[4-(4-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-[3-methyl-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;3-methyl-5-[3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-(1H-pyrrol-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid is sourced from PubChem (CID 162143276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).