4-(furan-3-yl)-6-methyl-2-[3-(3-methylphenyl)phenyl]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;methane;4-(6-methyl-3-pyridinyl)-2-[3-[3-(2H-triazol-4-yl)phenyl]phenyl]-6-(trifluoromethyl)pyrimidine;2-methyl-5-[3-[4-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid

C117H89F6N15O9 — CID 157206494

IUPAC4-(furan-3-yl)-6-methyl-2-[3-(3-methylphenyl)phenyl]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;methane;4-(6-methyl-3-pyridinyl)-2-[3-[3-(2H-triazol-4-yl)phenyl]phenyl]-6-(trifluoromethyl)pyrimidine;2-methyl-5-[3-[4-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid
SMILESC.Cc1cc(-c2ccoc2)nc(-c2cccc(-c3ccc(C)c(C(=O)O)c3)c2)n1.Cc1ccc(-c2cc(C(F)(F)F)nc(-c3cccc(-c4cccc(-c5cn[nH]n5)c4)c3)n2)cn1.Cc1ccc(-c2cccc(-c3nc(-c4cccnc4)cc(C(F)(F)F)n3)c2)cc1C(=O)O.Cc1ccc(-c2cccc(-c3nccc(-c4ccoc4)n3)c2)cc1C(=O)O.Cc1cccc(-c2cccc(-c3nc(C)cc(-c4ccoc4)n3)c2)c1
InChIInChI=1S/C25H17F3N6.C24H16F3N3O2.C23H18N2O3.C22H16N2O3.C22H18N2O.CH4/c1-15-8-9-20(13-29-15)21-12-23(25(26,27)28)32-24(31-21)19-7-3-5-17(11-19)16-4-2-6-18(10-16)22-14-30-34-33-22;1-14-7-8-16(11-19(14)23(31)32)15-4-2-5-17(10-15)22-29-20(18-6-3-9-28-13-18)12-21(30-22)24(25,26)27;1-14-6-7-17(12-20(14)23(26)27)16-4-3-5-18(11-16)22-24-15(2)10-21(25-22)19-8-9-28-13-19;1-14-5-6-16(12-19(14)22(25)26)15-3-2-4-17(11-15)21-23-9-7-20(24-21)18-8-10-27-13-18;1-15-5-3-6-17(11-15)18-7-4-8-19(13-18)22-23-16(2)12-21(24-22)20-9-10-25-14-20;/h2-14H,1H3,(H,30,33,34);2-13H,1H3,(H,31,32);3-13H,1-2H3,(H,26,27);2-13H,1H3,(H,25,26);3-14H,1-2H3;1H4
InChIKeyARKLSXNCVFFMGD-UHFFFAOYSA-N
MW1963.08 g/mol
LogP28.67
Rot. Bonds19

About 4-(furan-3-yl)-6-methyl-2-[3-(3-methylphenyl)phenyl]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;methane;4-(6-methyl-3-pyridinyl)-2-[3-[3-(2H-triazol-4-yl)phenyl]phenyl]-6-(trifluoromethyl)pyrimidine;2-methyl-5-[3-[4-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid

4-(furan-3-yl)-6-methyl-2-[3-(3-methylphenyl)phenyl]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;methane;4-(6-methyl-3-pyridinyl)-2-[3-[3-(2H-triazol-4-yl)phenyl]phenyl]-6-(trifluoromethyl)pyrimidine;2-methyl-5-[3-[4-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid (PubChem CID 157206494) has the molecular formula C117H89F6N15O9 and a molecular weight of 1963.08 g/mol. Its IUPAC name is 4-(furan-3-yl)-6-methyl-2-[3-(3-methylphenyl)phenyl]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;methane;4-(6-methyl-3-pyridinyl)-2-[3-[3-(2H-triazol-4-yl)phenyl]phenyl]-6-(trifluoromethyl)pyrimidine;2-methyl-5-[3-[4-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid.

Molecular Properties

Compound Name4-(furan-3-yl)-6-methyl-2-[3-(3-methylphenyl)phenyl]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;methane;4-(6-methyl-3-pyridinyl)-2-[3-[3-(2H-triazol-4-yl)phenyl]phenyl]-6-(trifluoromethyl)pyrimidine;2-methyl-5-[3-[4-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid
PubChem CID157206494
Molecular FormulaC117H89F6N15O9
Molecular Weight1963.08 g/mol
Exact Mass1961.69
IUPAC Name4-(furan-3-yl)-6-methyl-2-[3-(3-methylphenyl)phenyl]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;methane;4-(6-methyl-3-pyridinyl)-2-[3-[3-(2H-triazol-4-yl)phenyl]phenyl]-6-(trifluoromethyl)pyrimidine;2-methyl-5-[3-[4-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid
SMILESC.Cc1cc(-c2ccoc2)nc(-c2cccc(-c3ccc(C)c(C(=O)O)c3)c2)n1.Cc1ccc(-c2cc(C(F)(F)F)nc(-c3cccc(-c4cccc(-c5cn[nH]n5)c4)c3)n2)cn1.Cc1ccc(-c2cccc(-c3nc(-c4cccnc4)cc(C(F)(F)F)n3)c2)cc1C(=O)O.Cc1ccc(-c2cccc(-c3nccc(-c4ccoc4)n3)c2)cc1C(=O)O.Cc1cccc(-c2cccc(-c3nc(C)cc(-c4ccoc4)n3)c2)c1
InChIInChI=1S/C25H17F3N6.C24H16F3N3O2.C23H18N2O3.C22H16N2O3.C22H18N2O.CH4/c1-15-8-9-20(13-29-15)21-12-23(25(26,27)28)32-24(31-21)19-7-3-5-17(11-19)16-4-2-6-18(10-16)22-14-30-34-33-22;1-14-7-8-16(11-19(14)23(31)32)15-4-2-5-17(10-15)22-29-20(18-6-3-9-28-13-18)12-21(30-22)24(25,26)27;1-14-6-7-17(12-20(14)23(26)27)16-4-3-5-18(11-16)22-24-15(2)10-21(25-22)19-8-9-28-13-19;1-14-5-6-16(12-19(14)22(25)26)15-3-2-4-17(11-15)21-23-9-7-20(24-21)18-8-10-27-13-18;1-15-5-3-6-17(11-15)18-7-4-8-19(13-18)22-23-16(2)12-21(24-22)20-9-10-25-14-20;/h2-14H,1H3,(H,30,33,34);2-13H,1H3,(H,31,32);3-13H,1-2H3,(H,26,27);2-13H,1H3,(H,25,26);3-14H,1-2H3;1H4
InChIKeyARKLSXNCVFFMGD-UHFFFAOYSA-N
XLogP28.67
TPSA347.57 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds19
Heavy Atoms147
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001963.08
LogP ≤ 528.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Analyze 4-(furan-3-yl)-6-methyl-2-[3-(3-methylphenyl)phenyl]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;methane;4-(6-methyl-3-pyridinyl)-2-[3-[3-(2H-triazol-4-yl)phenyl]phenyl]-6-(trifluoromethyl)pyrimidine;2-methyl-5-[3-[4-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid with MolForge

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Related Compounds

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
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
2-[[2,5-Difluoro-4-[6-[(6-methoxy-3-pyridinyl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;2-[[2,5-difluoro-4-[6-[(6-pyrazol-1-yl-3-pyridinyl)methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;2-[[4-[6-[[2,5-difluoro-4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]-2,5-difluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid
CID 158310400
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
4-(furan-3-yl)-6-methyl-2-[3-(3-methylphenyl)phenyl]pyrimidine;4-(6-methyl-3-pyridinyl)-2-[3-[3-(3H-1,2,4-triazol-5-yl)phenyl]phenyl]-6-(trifluoromethyl)pyrimidine
CID 159299788
3-methyl-2-[6-[5-methyl-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]imidazole-4-carboxylic acid;1-methyl-5-[6-[5-methyl-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]pyrazole-3-carboxylic acid;5-methyl-1-[6-[5-methyl-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]pyrazole-4-carboxylic acid;1-[6-[5-methyl-2-[[2-(1-phenylethyl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 160034205
5-[3-[4-(4-Tert-butylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;5-[3-[4-(3,5-dimethylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;bis(5-[3-[4-(furan-2-yl)-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 160615883
1-[6-[2-[(2-benzyl-3,4-dihydro-1H-isoquinolin-6-yl)methoxy]-5-methylphenyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid;1-[6-[5-methyl-2-[[2-[2-(oxan-4-yl)ethyl]-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid;1-[6-[5-methyl-2-[[2-(oxan-3-ylmethyl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid;1-[6-[5-methyl-2-[[2-(1-pyrazin-2-ylethyl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 160890542
5-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]-2-methylbenzoic acid;4-(furan-3-yl)-6-methyl-2-[3-(3-methylphenyl)phenyl]pyrimidine;2-methyl-5-[3-[4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;1-[2-methyl-5-[3-[4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]phenyl]propan-1-one;2-[3-(2-methylphenyl)phenyl]-4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidine;2-[3-(4-methylphenyl)phenyl]-4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidine;4-(6-methyl-3-pyridinyl)-2-[3-[3-(3H-1,2,4-triazol-5-yl)phenyl]phenyl]-6-(trifluoromethyl)pyrimidine
CID 161574351
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
4-(furan-3-yl)-6-methyl-2-[3-(3-methylphenyl)phenyl]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;4-(6-methyl-3-pyridinyl)-2-[3-[3-(2H-triazol-4-yl)phenyl]phenyl]-6-(trifluoromethyl)pyrimidine;2-methyl-5-[3-[4-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid
CID 161954902
[5-(3-Acetyl-4-fluorophenyl)-6-propan-2-yl-2-pyridinyl] acetate;1-[2-[[5-(3-acetyl-4-fluorophenyl)-4-propan-2-ylpyrimidin-2-yl]amino]ethyl]imidazolidin-2-one;1-[2-[[5-(3-acetyl-4-fluorophenyl)-4-propan-2-ylpyrimidin-2-yl]amino]ethyl]pyrrolidin-2-one;1-[2-fluoro-5-[2-(4-hydroxypiperidin-1-yl)-4-propan-2-ylpyrimidin-5-yl]phenyl]ethanone;1-[2-fluoro-5-[2-(oxolan-3-ylamino)-4-propan-2-ylpyrimidin-5-yl]phenyl]ethanone;1-[2-fluoro-5-[4-propan-2-yl-2-[2-(triazol-1-yl)ethylamino]pyrimidin-5-yl]phenyl]ethanone
CID 157661995

Frequently Asked Questions

What is the IUPAC name of 4-(furan-3-yl)-6-methyl-2-[3-(3-methylphenyl)phenyl]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;methane;4-(6-methyl-3-pyridinyl)-2-[3-[3-(2H-triazol-4-yl)phenyl]phenyl]-6-(trifluoromethyl)pyrimidine;2-methyl-5-[3-[4-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid?
The IUPAC name of 4-(furan-3-yl)-6-methyl-2-[3-(3-methylphenyl)phenyl]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;methane;4-(6-methyl-3-pyridinyl)-2-[3-[3-(2H-triazol-4-yl)phenyl]phenyl]-6-(trifluoromethyl)pyrimidine;2-methyl-5-[3-[4-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid (CID 157206494) is 4-(furan-3-yl)-6-methyl-2-[3-(3-methylphenyl)phenyl]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;methane;4-(6-methyl-3-pyridinyl)-2-[3-[3-(2H-triazol-4-yl)phenyl]phenyl]-6-(trifluoromethyl)pyrimidine;2-methyl-5-[3-[4-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid.
What is the SMILES notation for 4-(furan-3-yl)-6-methyl-2-[3-(3-methylphenyl)phenyl]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;methane;4-(6-methyl-3-pyridinyl)-2-[3-[3-(2H-triazol-4-yl)phenyl]phenyl]-6-(trifluoromethyl)pyrimidine;2-methyl-5-[3-[4-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid?
The canonical SMILES for 4-(furan-3-yl)-6-methyl-2-[3-(3-methylphenyl)phenyl]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;methane;4-(6-methyl-3-pyridinyl)-2-[3-[3-(2H-triazol-4-yl)phenyl]phenyl]-6-(trifluoromethyl)pyrimidine;2-methyl-5-[3-[4-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid is C.Cc1cc(-c2ccoc2)nc(-c2cccc(-c3ccc(C)c(C(=O)O)c3)c2)n1.Cc1ccc(-c2cc(C(F)(F)F)nc(-c3cccc(-c4cccc(-c5cn[nH]n5)c4)c3)n2)cn1.Cc1ccc(-c2cccc(-c3nc(-c4cccnc4)cc(C(F)(F)F)n3)c2)cc1C(=O)O.Cc1ccc(-c2cccc(-c3nccc(-c4ccoc4)n3)c2)cc1C(=O)O.Cc1cccc(-c2cccc(-c3nc(C)cc(-c4ccoc4)n3)c2)c1.
What is the InChIKey of 4-(furan-3-yl)-6-methyl-2-[3-(3-methylphenyl)phenyl]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;methane;4-(6-methyl-3-pyridinyl)-2-[3-[3-(2H-triazol-4-yl)phenyl]phenyl]-6-(trifluoromethyl)pyrimidine;2-methyl-5-[3-[4-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid?
The InChIKey is ARKLSXNCVFFMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17F3N6.C24H16F3N3O2.C23H18N2O3.C22H16N2O3.C22H18N2O.CH4/c1-15-8-9-20(13-29-15)21-12-23(25(26,27)28)32-24(31-21)19-7-3-5-17(11-19)16-4-2-6-18(10-16)22-14-30-34-33-22;1-14-7-8-16(11-19(14)23(31)32)15-4-2-5-17(10-15)22-29-20(18-6-3-9-28-13-18)12-21(30-22)24(25,26)27;1-14-6-7-17(12-20(14)23(26)27)16-4-3-5-18(11-16)22-24-15(2)10-21(25-22)19-8-9-28-13-19;1-14-5-6-16(12-19(14)22(25)26)15-3-2-4-17(11-15)21-23-9-7-20(24-21)18-8-10-27-13-18;1-15-5-3-6-17(11-15)18-7-4-8-19(13-18)22-23-16(2)12-21(24-22)20-9-10-25-14-20;/h2-14H,1H3,(H,30,33,34);2-13H,1H3,(H,31,32);3-13H,1-2H3,(H,26,27);2-13H,1H3,(H,25,26);3-14H,1-2H3;1H4.
What are the key properties of 4-(furan-3-yl)-6-methyl-2-[3-(3-methylphenyl)phenyl]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;methane;4-(6-methyl-3-pyridinyl)-2-[3-[3-(2H-triazol-4-yl)phenyl]phenyl]-6-(trifluoromethyl)pyrimidine;2-methyl-5-[3-[4-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid?
4-(furan-3-yl)-6-methyl-2-[3-(3-methylphenyl)phenyl]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;methane;4-(6-methyl-3-pyridinyl)-2-[3-[3-(2H-triazol-4-yl)phenyl]phenyl]-6-(trifluoromethyl)pyrimidine;2-methyl-5-[3-[4-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid has a molecular weight of 1963.08 g/mol, XLogP of 28.67, 19 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-3-yl)-6-methyl-2-[3-(3-methylphenyl)phenyl]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;methane;4-(6-methyl-3-pyridinyl)-2-[3-[3-(2H-triazol-4-yl)phenyl]phenyl]-6-(trifluoromethyl)pyrimidine;2-methyl-5-[3-[4-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid is sourced from PubChem (CID 157206494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).