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

C187H123Cl2F26N17O15S3 — CID 160839527

IUPAC5-[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
SMILESCc1cc(C(=O)O)cc(-c2cccc(-c3nc(-c4ccoc4)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(-c2cc(C(F)(F)F)nc(-c3cccc(-c4ccc(C)c(C(=O)O)c4)c3)n2)s1.Cc1ccc(-c2cccc(-c3nc(-c4ccc(Cl)cc4F)cc(C(F)(F)F)n3)c2)cc1C(=O)O.Cc1ccc(-c2cccc(-c3nc(-c4nccs4)cc(C(F)(F)F)n3)c2)cc1C(=O)O.Cc1ccc(-c2cccc(-c3nc(-c4sccc4Cl)cc(C(F)(F)F)n3)c2)cc1C(=O)O.Cc1ccc(F)c(-c2cccc(-c3nc(-c4ccoc4)cc(C(F)(F)F)n3)c2)c1.Cc1cccc(-c2cccc(-c3nc(-c4ccoc4)cc(C(F)(F)F)n3)c2)c1
InChIInChI=1S/C26H19F3N2O2.C25H15ClF4N2O2.C24H17F3N2O2S.C23H14ClF3N2O2S.C23H15F3N2O3.C22H14F4N2O.C22H14F3N3O2S.C22H15F3N2O/c1-15-6-9-17(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;1-13-5-6-15(10-19(13)24(33)34)14-3-2-4-16(9-14)23-31-21(12-22(32-23)25(28,29)30)18-8-7-17(26)11-20(18)27;1-13-6-8-16(11-18(13)23(30)31)15-4-3-5-17(10-15)22-28-19(20-9-7-14(2)32-20)12-21(29-22)24(25,26)27;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;1-13-7-17(10-18(8-13)22(29)30)14-3-2-4-15(9-14)21-27-19(16-5-6-31-12-16)11-20(28-21)23(24,25)26;1-13-5-6-18(23)17(9-13)14-3-2-4-15(10-14)21-27-19(16-7-8-29-12-16)11-20(28-21)22(24,25)26;1-12-5-6-14(10-16(12)21(29)30)13-3-2-4-15(9-13)19-27-17(20-26-7-8-31-20)11-18(28-19)22(23,24)25;1-14-4-2-5-15(10-14)16-6-3-7-17(11-16)21-26-19(18-8-9-28-13-18)12-20(27-21)22(23,24)25/h3-14H,1-2H3,(H,32,33);2-12H,1H3,(H,33,34);3-12H,1-2H3,(H,30,31);2-11H,1H3,(H,30,31);2-12H,1H3,(H,29,30);2-12H,1H3;2-11H,1H3,(H,29,30);2-13H,1H3
InChIKeySHVNRUWJUUFGNG-UHFFFAOYSA-N
MW3509.20 g/mol
LogP53.19
Rot. Bonds30

About 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

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 (PubChem CID 160839527) has the molecular formula C187H123Cl2F26N17O15S3 and a molecular weight of 3509.20 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[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
PubChem CID160839527
Molecular FormulaC187H123Cl2F26N17O15S3
Molecular Weight3509.20 g/mol
Exact Mass3505.75
IUPAC Name5-[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
SMILESCc1cc(C(=O)O)cc(-c2cccc(-c3nc(-c4ccoc4)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(-c2cc(C(F)(F)F)nc(-c3cccc(-c4ccc(C)c(C(=O)O)c4)c3)n2)s1.Cc1ccc(-c2cccc(-c3nc(-c4ccc(Cl)cc4F)cc(C(F)(F)F)n3)c2)cc1C(=O)O.Cc1ccc(-c2cccc(-c3nc(-c4nccs4)cc(C(F)(F)F)n3)c2)cc1C(=O)O.Cc1ccc(-c2cccc(-c3nc(-c4sccc4Cl)cc(C(F)(F)F)n3)c2)cc1C(=O)O.Cc1ccc(F)c(-c2cccc(-c3nc(-c4ccoc4)cc(C(F)(F)F)n3)c2)c1.Cc1cccc(-c2cccc(-c3nc(-c4ccoc4)cc(C(F)(F)F)n3)c2)c1
InChIInChI=1S/C26H19F3N2O2.C25H15ClF4N2O2.C24H17F3N2O2S.C23H14ClF3N2O2S.C23H15F3N2O3.C22H14F4N2O.C22H14F3N3O2S.C22H15F3N2O/c1-15-6-9-17(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;1-13-5-6-15(10-19(13)24(33)34)14-3-2-4-16(9-14)23-31-21(12-22(32-23)25(28,29)30)18-8-7-17(26)11-20(18)27;1-13-6-8-16(11-18(13)23(30)31)15-4-3-5-17(10-15)22-28-19(20-9-7-14(2)32-20)12-21(29-22)24(25,26)27;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;1-13-7-17(10-18(8-13)22(29)30)14-3-2-4-15(9-14)21-27-19(16-5-6-31-12-16)11-20(28-21)23(24,25)26;1-13-5-6-18(23)17(9-13)14-3-2-4-15(10-14)21-27-19(16-7-8-29-12-16)11-20(28-21)22(24,25)26;1-12-5-6-14(10-16(12)21(29)30)13-3-2-4-15(9-13)19-27-17(20-26-7-8-31-20)11-18(28-19)22(23,24)25;1-14-4-2-5-15(10-14)16-6-3-7-17(11-16)21-26-19(18-8-9-28-13-18)12-20(27-21)22(23,24)25/h3-14H,1-2H3,(H,32,33);2-12H,1H3,(H,33,34);3-12H,1-2H3,(H,30,31);2-11H,1H3,(H,30,31);2-12H,1H3,(H,29,30);2-12H,1H3;2-11H,1H3,(H,29,30);2-13H,1H3
InChIKeySHVNRUWJUUFGNG-UHFFFAOYSA-N
XLogP53.19
TPSA482.35 Ų
H-Bond Donors6
H-Bond Acceptors29
Rotatable Bonds30
Heavy Atoms250
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003509.20
LogP ≤ 553.19
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1029

Analyze 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 with MolForge

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Related Compounds

5-[3-[4-(4-Tert-butylphenyl)-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-(3,5-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;5-[3-[4-(furan-3-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid
CID 157724279
1-chloro-3-propan-2-ylbenzene;cumene;1-fluoro-3-propan-2-ylbenzene;5-fluoro-2-(4-propan-2-ylphenyl)pyrimidine;N-methyl-3-propan-2-ylbenzamide;1-methyl-4-propan-2-ylbenzene;2-methyl-5-(4-propan-2-ylphenyl)pyrimidine;bis(5-methyl-2-(4-propan-2-ylphenyl)pyrimidine);1-phenyl-4-propan-2-ylbenzene;3-(3-propan-2-ylphenyl)furan;2-(4-propan-2-ylphenyl)pyrazine;2-(4-propan-2-ylphenyl)pyridine;2-(4-propan-2-ylphenyl)pyrimidine;2-(4-propan-2-ylphenyl)-1,3-thiazole;2-(3-propan-2-ylphenyl)thiophene;3-(3-propan-2-ylphenyl)thiophene;1-propan-2-yl-3-(trifluoromethyl)benzene
CID 159026590
5-[3-[4-(4-Tert-butylphenyl)-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-(3,5-dimethylphenyl)-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;5-[3-[4-(furan-3-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;2-methyl-5-[3-[4-(2-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-(3-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid
CID 159158003
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
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-(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-(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
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;5-[3-[4-(furan-3-yl)-6-methylpyrimidin-2-yl]phenyl]-2-methylbenzoic acid;5-[3-[4-(furan-3-yl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;3-[3-[4-(furan-3-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-5-methylbenzoic acid;2-methyl-5-[3-[4-(5-methylthiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid
CID 161899342
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
CID 172958632
CID 172958632
CID 172983884
CID 172983884

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(C(=O)O)cc(-c2cccc(-c3nc(-c4ccoc4)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(-c2cc(C(F)(F)F)nc(-c3cccc(-c4ccc(C)c(C(=O)O)c4)c3)n2)s1.Cc1ccc(-c2cccc(-c3nc(-c4ccc(Cl)cc4F)cc(C(F)(F)F)n3)c2)cc1C(=O)O.Cc1ccc(-c2cccc(-c3nc(-c4nccs4)cc(C(F)(F)F)n3)c2)cc1C(=O)O.Cc1ccc(-c2cccc(-c3nc(-c4sccc4Cl)cc(C(F)(F)F)n3)c2)cc1C(=O)O.Cc1ccc(F)c(-c2cccc(-c3nc(-c4ccoc4)cc(C(F)(F)F)n3)c2)c1.Cc1cccc(-c2cccc(-c3nc(-c4ccoc4)cc(C(F)(F)F)n3)c2)c1.
What is the InChIKey of 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?
The InChIKey is SHVNRUWJUUFGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F3N2O2.C25H15ClF4N2O2.C24H17F3N2O2S.C23H14ClF3N2O2S.C23H15F3N2O3.C22H14F4N2O.C22H14F3N3O2S.C22H15F3N2O/c1-15-6-9-17(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;1-13-5-6-15(10-19(13)24(33)34)14-3-2-4-16(9-14)23-31-21(12-22(32-23)25(28,29)30)18-8-7-17(26)11-20(18)27;1-13-6-8-16(11-18(13)23(30)31)15-4-3-5-17(10-15)22-28-19(20-9-7-14(2)32-20)12-21(29-22)24(25,26)27;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;1-13-7-17(10-18(8-13)22(29)30)14-3-2-4-15(9-14)21-27-19(16-5-6-31-12-16)11-20(28-21)23(24,25)26;1-13-5-6-18(23)17(9-13)14-3-2-4-15(10-14)21-27-19(16-7-8-29-12-16)11-20(28-21)22(24,25)26;1-12-5-6-14(10-16(12)21(29)30)13-3-2-4-15(9-13)19-27-17(20-26-7-8-31-20)11-18(28-19)22(23,24)25;1-14-4-2-5-15(10-14)16-6-3-7-17(11-16)21-26-19(18-8-9-28-13-18)12-20(27-21)22(23,24)25/h3-14H,1-2H3,(H,32,33);2-12H,1H3,(H,33,34);3-12H,1-2H3,(H,30,31);2-11H,1H3,(H,30,31);2-12H,1H3,(H,29,30);2-12H,1H3;2-11H,1H3,(H,29,30);2-13H,1H3.
What are the key properties of 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?
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 has a molecular weight of 3509.20 g/mol, XLogP of 53.19, 30 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160839527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).