4-[4-[4-(1,1-difluoroethyl)phenyl]-6-methylpyrimidin-2-yl]benzoic acid;3-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-2-yl]benzoic acid;4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-2-yl]benzoic acid;3-[4-(2-fluorophenyl)-5-methylpyrimidin-2-yl]benzoic acid;4-[4-(4-imidazol-1-ylphenyl)pyrimidin-2-yl]benzoic acid;3-[4-methyl-6-(4-methylphenyl)pyrimidin-2-yl]benzoic acid;3-[5-methyl-4-(4-methylphenyl)pyrimidin-2-yl]benzoic acid

C134H103F3N16O18 — CID 160822473

IUPAC4-[4-[4-(1,1-difluoroethyl)phenyl]-6-methylpyrimidin-2-yl]benzoic acid;3-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-2-yl]benzoic acid;4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-2-yl]benzoic acid;3-[4-(2-fluorophenyl)-5-methylpyrimidin-2-yl]benzoic acid;4-[4-(4-imidazol-1-ylphenyl)pyrimidin-2-yl]benzoic acid;3-[4-methyl-6-(4-methylphenyl)pyrimidin-2-yl]benzoic acid;3-[5-methyl-4-(4-methylphenyl)pyrimidin-2-yl]benzoic acid
SMILESCc1cc(-c2ccc(C(C)(F)F)cc2)nc(-c2ccc(C(=O)O)cc2)n1.Cc1ccc(-c2cc(C)nc(-c3cccc(C(=O)O)c3)n2)cc1.Cc1ccc(-c2nc(-c3cccc(C(=O)O)c3)ncc2C)cc1.Cc1cnc(-c2cccc(C(=O)O)c2)nc1-c1ccccc1F.O=C(O)c1ccc(-c2nccc(-c3ccc(-n4ccnc4)cc3)n2)cc1.O=C(O)c1ccc(-c2nccc(-c3ccc4c(c3)OCCO4)n2)cc1.O=C(O)c1cccc(-c2nccc(-c3ccc4c(c3)OCCO4)n2)c1
InChIInChI=1S/C20H16F2N2O2.C20H14N4O2.2C19H14N2O4.2C19H16N2O2.C18H13FN2O2/c1-12-11-17(13-7-9-16(10-8-13)20(2,21)22)24-18(23-12)14-3-5-15(6-4-14)19(25)26;25-20(26)16-3-1-15(2-4-16)19-22-10-9-18(23-19)14-5-7-17(8-6-14)24-12-11-21-13-24;22-19(23)13-3-1-12(2-4-13)18-20-8-7-15(21-18)14-5-6-16-17(11-14)25-10-9-24-16;22-19(23)14-3-1-2-13(10-14)18-20-7-6-15(21-18)12-4-5-16-17(11-12)25-9-8-24-16;1-12-6-8-14(9-7-12)17-13(2)11-20-18(21-17)15-4-3-5-16(10-15)19(22)23;1-12-6-8-14(9-7-12)17-10-13(2)20-18(21-17)15-4-3-5-16(11-15)19(22)23;1-11-10-20-17(12-5-4-6-13(9-12)18(22)23)21-16(11)14-7-2-3-8-15(14)19/h3-11H,1-2H3,(H,25,26);1-13H,(H,25,26);1-8,11H,9-10H2,(H,22,23);1-7,10-11H,8-9H2,(H,22,23);2*3-11H,1-2H3,(H,22,23);2-10H,1H3,(H,22,23)
InChIKeySFSONEJWNJTGSI-UHFFFAOYSA-N
MW2282.39 g/mol
LogP27.39
Rot. Bonds23

About 4-[4-[4-(1,1-difluoroethyl)phenyl]-6-methylpyrimidin-2-yl]benzoic acid;3-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-2-yl]benzoic acid;4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-2-yl]benzoic acid;3-[4-(2-fluorophenyl)-5-methylpyrimidin-2-yl]benzoic acid;4-[4-(4-imidazol-1-ylphenyl)pyrimidin-2-yl]benzoic acid;3-[4-methyl-6-(4-methylphenyl)pyrimidin-2-yl]benzoic acid;3-[5-methyl-4-(4-methylphenyl)pyrimidin-2-yl]benzoic acid

4-[4-[4-(1,1-difluoroethyl)phenyl]-6-methylpyrimidin-2-yl]benzoic acid;3-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-2-yl]benzoic acid;4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-2-yl]benzoic acid;3-[4-(2-fluorophenyl)-5-methylpyrimidin-2-yl]benzoic acid;4-[4-(4-imidazol-1-ylphenyl)pyrimidin-2-yl]benzoic acid;3-[4-methyl-6-(4-methylphenyl)pyrimidin-2-yl]benzoic acid;3-[5-methyl-4-(4-methylphenyl)pyrimidin-2-yl]benzoic acid (PubChem CID 160822473) has the molecular formula C134H103F3N16O18 and a molecular weight of 2282.39 g/mol. Its IUPAC name is 4-[4-[4-(1,1-difluoroethyl)phenyl]-6-methylpyrimidin-2-yl]benzoic acid;3-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-2-yl]benzoic acid;4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-2-yl]benzoic acid;3-[4-(2-fluorophenyl)-5-methylpyrimidin-2-yl]benzoic acid;4-[4-(4-imidazol-1-ylphenyl)pyrimidin-2-yl]benzoic acid;3-[4-methyl-6-(4-methylphenyl)pyrimidin-2-yl]benzoic acid;3-[5-methyl-4-(4-methylphenyl)pyrimidin-2-yl]benzoic acid.

Molecular Properties

Compound Name4-[4-[4-(1,1-difluoroethyl)phenyl]-6-methylpyrimidin-2-yl]benzoic acid;3-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-2-yl]benzoic acid;4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-2-yl]benzoic acid;3-[4-(2-fluorophenyl)-5-methylpyrimidin-2-yl]benzoic acid;4-[4-(4-imidazol-1-ylphenyl)pyrimidin-2-yl]benzoic acid;3-[4-methyl-6-(4-methylphenyl)pyrimidin-2-yl]benzoic acid;3-[5-methyl-4-(4-methylphenyl)pyrimidin-2-yl]benzoic acid
PubChem CID160822473
Molecular FormulaC134H103F3N16O18
Molecular Weight2282.39 g/mol
Exact Mass2280.76
IUPAC Name4-[4-[4-(1,1-difluoroethyl)phenyl]-6-methylpyrimidin-2-yl]benzoic acid;3-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-2-yl]benzoic acid;4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-2-yl]benzoic acid;3-[4-(2-fluorophenyl)-5-methylpyrimidin-2-yl]benzoic acid;4-[4-(4-imidazol-1-ylphenyl)pyrimidin-2-yl]benzoic acid;3-[4-methyl-6-(4-methylphenyl)pyrimidin-2-yl]benzoic acid;3-[5-methyl-4-(4-methylphenyl)pyrimidin-2-yl]benzoic acid
SMILESCc1cc(-c2ccc(C(C)(F)F)cc2)nc(-c2ccc(C(=O)O)cc2)n1.Cc1ccc(-c2cc(C)nc(-c3cccc(C(=O)O)c3)n2)cc1.Cc1ccc(-c2nc(-c3cccc(C(=O)O)c3)ncc2C)cc1.Cc1cnc(-c2cccc(C(=O)O)c2)nc1-c1ccccc1F.O=C(O)c1ccc(-c2nccc(-c3ccc(-n4ccnc4)cc3)n2)cc1.O=C(O)c1ccc(-c2nccc(-c3ccc4c(c3)OCCO4)n2)cc1.O=C(O)c1cccc(-c2nccc(-c3ccc4c(c3)OCCO4)n2)c1
InChIInChI=1S/C20H16F2N2O2.C20H14N4O2.2C19H14N2O4.2C19H16N2O2.C18H13FN2O2/c1-12-11-17(13-7-9-16(10-8-13)20(2,21)22)24-18(23-12)14-3-5-15(6-4-14)19(25)26;25-20(26)16-3-1-15(2-4-16)19-22-10-9-18(23-19)14-5-7-17(8-6-14)24-12-11-21-13-24;22-19(23)13-3-1-12(2-4-13)18-20-8-7-15(21-18)14-5-6-16-17(11-14)25-10-9-24-16;22-19(23)14-3-1-2-13(10-14)18-20-7-6-15(21-18)12-4-5-16-17(11-12)25-9-8-24-16;1-12-6-8-14(9-7-12)17-13(2)11-20-18(21-17)15-4-3-5-16(10-15)19(22)23;1-12-6-8-14(9-7-12)17-10-13(2)20-18(21-17)15-4-3-5-16(11-15)19(22)23;1-11-10-20-17(12-5-4-6-13(9-12)18(22)23)21-16(11)14-7-2-3-8-15(14)19/h3-11H,1-2H3,(H,25,26);1-13H,(H,25,26);1-8,11H,9-10H2,(H,22,23);1-7,10-11H,8-9H2,(H,22,23);2*3-11H,1-2H3,(H,22,23);2-10H,1H3,(H,22,23)
InChIKeySFSONEJWNJTGSI-UHFFFAOYSA-N
XLogP27.39
TPSA496.30 Ų
H-Bond Donors7
H-Bond Acceptors27
Rotatable Bonds23
Heavy Atoms171
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002282.39
LogP ≤ 527.39
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1027

Analyze 4-[4-[4-(1,1-difluoroethyl)phenyl]-6-methylpyrimidin-2-yl]benzoic acid;3-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-2-yl]benzoic acid;4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-2-yl]benzoic acid;3-[4-(2-fluorophenyl)-5-methylpyrimidin-2-yl]benzoic acid;4-[4-(4-imidazol-1-ylphenyl)pyrimidin-2-yl]benzoic acid;3-[4-methyl-6-(4-methylphenyl)pyrimidin-2-yl]benzoic acid;3-[5-methyl-4-(4-methylphenyl)pyrimidin-2-yl]benzoic acid with MolForge

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Related Compounds

3-(4-(5-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)-4-(2-fluoro-4-methylphenyl)pyrimidine-2-carbonyl)piperazin-1-yl)-1-naphthoic acid
CID 53233689
3-[4-[4-(1,1-Difluoroethoxy)phenyl]pyrimidin-2-yl]benzoic acid;4-[4-[4-(1,1-difluoroethyl)phenyl]pyrimidin-2-yl]benzoic acid;4-[4-(2-fluorophenyl)pyrimidin-2-yl]benzoic acid;3-[4-(4-methylphenyl)pyrimidin-2-yl]benzoic acid;4-[4-(3-methylphenyl)pyrimidin-2-yl]benzoic acid;4-[4-(4-piperidin-1-ylphenyl)pyrimidin-2-yl]benzoic acid;3-[4-(4-propan-2-ylphenyl)pyrimidin-2-yl]benzoic acid
CID 157402649
2-[5-[[4-[[4-(1,1-Difluoroethyl)phenyl]methyl]piperazin-1-yl]methyl]-1-methylimidazol-2-yl]pyridine-4-carboxylic acid;methane;methyl 2-[1-methyl-5-[[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]imidazol-2-yl]pyridine-4-carboxylate;2-[1-methyl-5-[[4-(3-phenoxypropyl)piperazin-1-yl]methyl]imidazol-2-yl]pyridine-4-carboxylic acid
CID 157534015
4-[4-[4-(1,1-Difluoroethoxy)phenyl]pyrimidin-2-yl]benzoic acid;4-[4-(3-fluorophenyl)pyrimidin-2-yl]benzoic acid;4-[4-(4-methoxyphenyl)pyrimidin-2-yl]benzoic acid;bis(4-[4-(4-methylphenyl)pyrimidin-2-yl]benzoic acid);4-[4-(4-phenylphenyl)pyrimidin-2-yl]benzoic acid;4-[4-(4-propan-2-ylphenyl)pyrimidin-2-yl]benzoic acid
CID 157950491
4-[2-[2-(1,1-Difluoroethoxy)phenyl]pyrimidin-4-yl]benzoic acid;4-[2-[3-(1,1-difluoroethyl)phenyl]pyrimidin-4-yl]benzoic acid;4-[4-[3-(1,1-difluoroethyl)phenyl]pyrimidin-2-yl]benzoic acid;3-[4-(3,4-dimethoxyphenyl)pyrimidin-2-yl]benzoic acid;4-[4-(3,4-dimethoxyphenyl)pyrimidin-2-yl]benzoic acid;3-[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]benzoic acid;4-[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]benzoic acid
CID 158107316
N-[3-[(2R)-1-[2-cyano-6-(4-hydroxy-3-methoxyphenyl)pyrimidin-4-yl]propan-2-yl]phenyl]-3-fluorobenzamide;N-[3-[(2R)-1-[2-cyano-6-(4-hydroxy-3-methoxyphenyl)pyrimidin-4-yl]propan-2-yl]phenyl]-3-methylbenzamide;N-[3-[(2R)-1-[2-cyano-6-(4-hydroxy-3-methoxyphenyl)pyrimidin-4-yl]propan-2-yl]phenyl]-3-(trifluoromethyl)benzamide;5-[3-[(2R)-1-[6-(3-methoxy-4-methylphenyl)pyrazin-2-yl]propan-2-yl]phenyl]pent-1-en-3-one
CID 158307218
4-[2-[[5-Cyclopentyloxy-2-(2-methyl-5-propan-2-ylphenyl)phenyl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]oxybutanoic acid;4-[2-[[5-methyl-2-(2-methyl-5-propan-2-ylphenyl)phenyl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]oxybutanoic acid;4-[[6-[[5-methyl-2-(3-methyl-6-propan-2-yl-2-pyridinyl)phenyl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]-3-pyridinyl]oxy]butanoic acid;4-[2-[[6-(2-methyl-5-propan-2-ylphenyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]oxybutanoic acid;4-[2-[[2-(2-methyl-5-propan-2-ylphenyl)-5-propoxyphenyl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]oxybutanoic acid
CID 159451970
3-[4-[3-(1,1-Difluoroethyl)phenyl]pyrimidin-2-yl]benzoic acid;3-[4-(2-fluorophenyl)pyrimidin-2-yl]benzoic acid;3-[4-(3-fluorophenyl)pyrimidin-2-yl]benzoic acid;3-[4-(4-methoxyphenyl)pyrimidin-2-yl]benzoic acid;3-[4-(3-methylphenyl)pyrimidin-2-yl]benzoic acid;3-[4-(4-methylphenyl)pyrimidin-2-yl]benzoic acid;3-[4-(4-phenylphenyl)pyrimidin-2-yl]benzoic acid
CID 160656148
N-[3-[(2R)-1-[2-cyano-6-(4-hydroxy-3-methoxyphenyl)pyrimidin-4-yl]propan-2-yl]phenyl]-5-methylpyridine-3-carboxamide;N-[3-[(2R)-1-[2-cyano-6-(4-hydroxy-3-methoxyphenyl)pyrimidin-4-yl]propan-2-yl]phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide;N-[3-[(2R)-1-[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]propan-2-yl]-5-(3-oxopent-4-enyl)phenyl]benzamide;N-[3-[(2R)-1-[6-[4-hydroxy-3-(3-oxopent-4-enyl)phenyl]pyrazin-2-yl]propan-2-yl]phenyl]-4-methylbenzamide
CID 160822694
4-[2-[3-(1,1-Difluoroethoxy)phenyl]pyrimidin-4-yl]benzoic acid;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrimidin-4-yl]benzoic acid;4-[2-(2-fluorophenyl)pyrimidin-4-yl]benzoic acid;bis(4-[2-(3-methylphenyl)pyrimidin-4-yl]benzoic acid);bis(4-[2-(4-methylphenyl)pyrimidin-4-yl]benzoic acid)
CID 160883767
5-[6-[4-(2-aminoethoxy)-3-methoxyphenyl]-2-methylimidazo[1,2-b]pyridazin-3-yl]-3-(trifluoromethyl)pyridin-2-amine;N-[2-[4-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-methylimidazo[1,2-b]pyridazin-6-yl]-2-methoxyphenoxy]ethyl]-4-morpholin-4-ylbenzamide;4-morpholin-4-ylbenzoic acid
CID 161368570
(2R)-4-[4-(dimethylamino)phenyl]-2-[[4-[5-(4-heptoxyphenyl)pyrimidin-2-yl]phenyl]methyl]-4-oxobutanoic acid;(2R)-2-[[4-[5-(4-heptoxyphenyl)pyrimidin-2-yl]phenyl]methyl]-4-oxo-4-(4-propan-2-yloxyphenyl)butanoic acid;(2R)-2-[[4-[5-(4-heptoxyphenyl)pyrimidin-2-yl]phenyl]methyl]-4-oxo-4-(3-propan-2-ylphenyl)butanoic acid;(2R)-2-[[4-[5-(4-heptoxyphenyl)pyrimidin-2-yl]phenyl]methyl]-4-oxo-4-(4-propan-2-ylphenyl)butanoic acid;(2R)-2-[[4-[5-(4-heptoxyphenyl)pyrimidin-2-yl]phenyl]methyl]-4-oxo-4-[4-(trifluoromethyl)phenyl]butanoic acid
CID 161488915

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(1,1-difluoroethyl)phenyl]-6-methylpyrimidin-2-yl]benzoic acid;3-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-2-yl]benzoic acid;4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-2-yl]benzoic acid;3-[4-(2-fluorophenyl)-5-methylpyrimidin-2-yl]benzoic acid;4-[4-(4-imidazol-1-ylphenyl)pyrimidin-2-yl]benzoic acid;3-[4-methyl-6-(4-methylphenyl)pyrimidin-2-yl]benzoic acid;3-[5-methyl-4-(4-methylphenyl)pyrimidin-2-yl]benzoic acid?
The IUPAC name of 4-[4-[4-(1,1-difluoroethyl)phenyl]-6-methylpyrimidin-2-yl]benzoic acid;3-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-2-yl]benzoic acid;4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-2-yl]benzoic acid;3-[4-(2-fluorophenyl)-5-methylpyrimidin-2-yl]benzoic acid;4-[4-(4-imidazol-1-ylphenyl)pyrimidin-2-yl]benzoic acid;3-[4-methyl-6-(4-methylphenyl)pyrimidin-2-yl]benzoic acid;3-[5-methyl-4-(4-methylphenyl)pyrimidin-2-yl]benzoic acid (CID 160822473) is 4-[4-[4-(1,1-difluoroethyl)phenyl]-6-methylpyrimidin-2-yl]benzoic acid;3-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-2-yl]benzoic acid;4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-2-yl]benzoic acid;3-[4-(2-fluorophenyl)-5-methylpyrimidin-2-yl]benzoic acid;4-[4-(4-imidazol-1-ylphenyl)pyrimidin-2-yl]benzoic acid;3-[4-methyl-6-(4-methylphenyl)pyrimidin-2-yl]benzoic acid;3-[5-methyl-4-(4-methylphenyl)pyrimidin-2-yl]benzoic acid.
What is the SMILES notation for 4-[4-[4-(1,1-difluoroethyl)phenyl]-6-methylpyrimidin-2-yl]benzoic acid;3-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-2-yl]benzoic acid;4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-2-yl]benzoic acid;3-[4-(2-fluorophenyl)-5-methylpyrimidin-2-yl]benzoic acid;4-[4-(4-imidazol-1-ylphenyl)pyrimidin-2-yl]benzoic acid;3-[4-methyl-6-(4-methylphenyl)pyrimidin-2-yl]benzoic acid;3-[5-methyl-4-(4-methylphenyl)pyrimidin-2-yl]benzoic acid?
The canonical SMILES for 4-[4-[4-(1,1-difluoroethyl)phenyl]-6-methylpyrimidin-2-yl]benzoic acid;3-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-2-yl]benzoic acid;4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-2-yl]benzoic acid;3-[4-(2-fluorophenyl)-5-methylpyrimidin-2-yl]benzoic acid;4-[4-(4-imidazol-1-ylphenyl)pyrimidin-2-yl]benzoic acid;3-[4-methyl-6-(4-methylphenyl)pyrimidin-2-yl]benzoic acid;3-[5-methyl-4-(4-methylphenyl)pyrimidin-2-yl]benzoic acid is Cc1cc(-c2ccc(C(C)(F)F)cc2)nc(-c2ccc(C(=O)O)cc2)n1.Cc1ccc(-c2cc(C)nc(-c3cccc(C(=O)O)c3)n2)cc1.Cc1ccc(-c2nc(-c3cccc(C(=O)O)c3)ncc2C)cc1.Cc1cnc(-c2cccc(C(=O)O)c2)nc1-c1ccccc1F.O=C(O)c1ccc(-c2nccc(-c3ccc(-n4ccnc4)cc3)n2)cc1.O=C(O)c1ccc(-c2nccc(-c3ccc4c(c3)OCCO4)n2)cc1.O=C(O)c1cccc(-c2nccc(-c3ccc4c(c3)OCCO4)n2)c1.
What is the InChIKey of 4-[4-[4-(1,1-difluoroethyl)phenyl]-6-methylpyrimidin-2-yl]benzoic acid;3-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-2-yl]benzoic acid;4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-2-yl]benzoic acid;3-[4-(2-fluorophenyl)-5-methylpyrimidin-2-yl]benzoic acid;4-[4-(4-imidazol-1-ylphenyl)pyrimidin-2-yl]benzoic acid;3-[4-methyl-6-(4-methylphenyl)pyrimidin-2-yl]benzoic acid;3-[5-methyl-4-(4-methylphenyl)pyrimidin-2-yl]benzoic acid?
The InChIKey is SFSONEJWNJTGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N2O2.C20H14N4O2.2C19H14N2O4.2C19H16N2O2.C18H13FN2O2/c1-12-11-17(13-7-9-16(10-8-13)20(2,21)22)24-18(23-12)14-3-5-15(6-4-14)19(25)26;25-20(26)16-3-1-15(2-4-16)19-22-10-9-18(23-19)14-5-7-17(8-6-14)24-12-11-21-13-24;22-19(23)13-3-1-12(2-4-13)18-20-8-7-15(21-18)14-5-6-16-17(11-14)25-10-9-24-16;22-19(23)14-3-1-2-13(10-14)18-20-7-6-15(21-18)12-4-5-16-17(11-12)25-9-8-24-16;1-12-6-8-14(9-7-12)17-13(2)11-20-18(21-17)15-4-3-5-16(10-15)19(22)23;1-12-6-8-14(9-7-12)17-10-13(2)20-18(21-17)15-4-3-5-16(11-15)19(22)23;1-11-10-20-17(12-5-4-6-13(9-12)18(22)23)21-16(11)14-7-2-3-8-15(14)19/h3-11H,1-2H3,(H,25,26);1-13H,(H,25,26);1-8,11H,9-10H2,(H,22,23);1-7,10-11H,8-9H2,(H,22,23);2*3-11H,1-2H3,(H,22,23);2-10H,1H3,(H,22,23).
What are the key properties of 4-[4-[4-(1,1-difluoroethyl)phenyl]-6-methylpyrimidin-2-yl]benzoic acid;3-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-2-yl]benzoic acid;4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-2-yl]benzoic acid;3-[4-(2-fluorophenyl)-5-methylpyrimidin-2-yl]benzoic acid;4-[4-(4-imidazol-1-ylphenyl)pyrimidin-2-yl]benzoic acid;3-[4-methyl-6-(4-methylphenyl)pyrimidin-2-yl]benzoic acid;3-[5-methyl-4-(4-methylphenyl)pyrimidin-2-yl]benzoic acid?
4-[4-[4-(1,1-difluoroethyl)phenyl]-6-methylpyrimidin-2-yl]benzoic acid;3-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-2-yl]benzoic acid;4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-2-yl]benzoic acid;3-[4-(2-fluorophenyl)-5-methylpyrimidin-2-yl]benzoic acid;4-[4-(4-imidazol-1-ylphenyl)pyrimidin-2-yl]benzoic acid;3-[4-methyl-6-(4-methylphenyl)pyrimidin-2-yl]benzoic acid;3-[5-methyl-4-(4-methylphenyl)pyrimidin-2-yl]benzoic acid has a molecular weight of 2282.39 g/mol, XLogP of 27.39, 23 rotatable bonds, 7 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(1,1-difluoroethyl)phenyl]-6-methylpyrimidin-2-yl]benzoic acid;3-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-2-yl]benzoic acid;4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-2-yl]benzoic acid;3-[4-(2-fluorophenyl)-5-methylpyrimidin-2-yl]benzoic acid;4-[4-(4-imidazol-1-ylphenyl)pyrimidin-2-yl]benzoic acid;3-[4-methyl-6-(4-methylphenyl)pyrimidin-2-yl]benzoic acid;3-[5-methyl-4-(4-methylphenyl)pyrimidin-2-yl]benzoic acid is sourced from PubChem (CID 160822473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).