2-[3-(3-chloro-4-methylphenyl)phenyl]-4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidine;2-[3-(2-methoxy-5-methylphenyl)phenyl]-4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidine;bis(2-methyl-5-[3-[4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid);bis(3-methyl-5-[3-[4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid);2-[3-(3-methylphenyl)phenyl]-4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidine

C173H127ClF21N21O9 — CID 159447718

IUPAC2-[3-(3-chloro-4-methylphenyl)phenyl]-4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidine;2-[3-(2-methoxy-5-methylphenyl)phenyl]-4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidine;bis(2-methyl-5-[3-[4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid);bis(3-methyl-5-[3-[4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid);2-[3-(3-methylphenyl)phenyl]-4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidine
SMILESCOc1ccc(C)cc1-c1cccc(-c2nc(-c3ccc(C)nc3)cc(C(F)(F)F)n2)c1.Cc1cc(C(=O)O)cc(-c2cccc(-c3nc(-c4ccc(C)nc4)cc(C(F)(F)F)n3)c2)c1.Cc1cc(C(=O)O)cc(-c2cccc(-c3nc(-c4ccc(C)nc4)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)cn1.Cc1ccc(-c2cc(C(F)(F)F)nc(-c3cccc(-c4ccc(C)c(C(=O)O)c4)c3)n2)cn1.Cc1ccc(-c2cc(C(F)(F)F)nc(-c3cccc(-c4ccc(C)c(Cl)c4)c3)n2)cn1.Cc1cccc(-c2cccc(-c3nc(-c4ccc(C)nc4)cc(C(F)(F)F)n3)c2)c1
InChIInChI=1S/4C25H18F3N3O2.C25H20F3N3O.C24H17ClF3N3.C24H18F3N3/c2*1-14-6-8-17(11-20(14)24(32)33)16-4-3-5-18(10-16)23-30-21(12-22(31-23)25(26,27)28)19-9-7-15(2)29-13-19;2*1-14-8-19(11-20(9-14)24(32)33)16-4-3-5-17(10-16)23-30-21(12-22(31-23)25(26,27)28)18-7-6-15(2)29-13-18;1-15-7-10-22(32-3)20(11-15)17-5-4-6-18(12-17)24-30-21(13-23(31-24)25(26,27)28)19-9-8-16(2)29-14-19;1-14-6-8-17(11-20(14)25)16-4-3-5-18(10-16)23-30-21(12-22(31-23)24(26,27)28)19-9-7-15(2)29-13-19;1-15-5-3-6-17(11-15)18-7-4-8-19(12-18)23-29-21(13-22(30-23)24(25,26)27)20-10-9-16(2)28-14-20/h4*3-13H,1-2H3,(H,32,33);4-14H,1-3H3;3-13H,1-2H3;3-14H,1-2H3
InChIKeyLSYWKRJGYROCQU-UHFFFAOYSA-N
MW3078.47 g/mol
LogP45.01
Rot. Bonds26

About 2-[3-(3-chloro-4-methylphenyl)phenyl]-4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidine;2-[3-(2-methoxy-5-methylphenyl)phenyl]-4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidine;bis(2-methyl-5-[3-[4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid);bis(3-methyl-5-[3-[4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid);2-[3-(3-methylphenyl)phenyl]-4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidine

2-[3-(3-chloro-4-methylphenyl)phenyl]-4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidine;2-[3-(2-methoxy-5-methylphenyl)phenyl]-4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidine;bis(2-methyl-5-[3-[4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid);bis(3-methyl-5-[3-[4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid);2-[3-(3-methylphenyl)phenyl]-4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidine (PubChem CID 159447718) has the molecular formula C173H127ClF21N21O9 and a molecular weight of 3078.47 g/mol. Its IUPAC name is 2-[3-(3-chloro-4-methylphenyl)phenyl]-4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidine;2-[3-(2-methoxy-5-methylphenyl)phenyl]-4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidine;bis(2-methyl-5-[3-[4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid);bis(3-methyl-5-[3-[4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid);2-[3-(3-methylphenyl)phenyl]-4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-[3-(3-chloro-4-methylphenyl)phenyl]-4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidine;2-[3-(2-methoxy-5-methylphenyl)phenyl]-4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidine;bis(2-methyl-5-[3-[4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid);bis(3-methyl-5-[3-[4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid);2-[3-(3-methylphenyl)phenyl]-4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidine
PubChem CID159447718
Molecular FormulaC173H127ClF21N21O9
Molecular Weight3078.47 g/mol
Exact Mass3075.95
IUPAC Name2-[3-(3-chloro-4-methylphenyl)phenyl]-4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidine;2-[3-(2-methoxy-5-methylphenyl)phenyl]-4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidine;bis(2-methyl-5-[3-[4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid);bis(3-methyl-5-[3-[4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid);2-[3-(3-methylphenyl)phenyl]-4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidine
SMILESCOc1ccc(C)cc1-c1cccc(-c2nc(-c3ccc(C)nc3)cc(C(F)(F)F)n2)c1.Cc1cc(C(=O)O)cc(-c2cccc(-c3nc(-c4ccc(C)nc4)cc(C(F)(F)F)n3)c2)c1.Cc1cc(C(=O)O)cc(-c2cccc(-c3nc(-c4ccc(C)nc4)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)cn1.Cc1ccc(-c2cc(C(F)(F)F)nc(-c3cccc(-c4ccc(C)c(C(=O)O)c4)c3)n2)cn1.Cc1ccc(-c2cc(C(F)(F)F)nc(-c3cccc(-c4ccc(C)c(Cl)c4)c3)n2)cn1.Cc1cccc(-c2cccc(-c3nc(-c4ccc(C)nc4)cc(C(F)(F)F)n3)c2)c1
InChIInChI=1S/4C25H18F3N3O2.C25H20F3N3O.C24H17ClF3N3.C24H18F3N3/c2*1-14-6-8-17(11-20(14)24(32)33)16-4-3-5-18(10-16)23-30-21(12-22(31-23)25(26,27)28)19-9-7-15(2)29-13-19;2*1-14-8-19(11-20(9-14)24(32)33)16-4-3-5-17(10-16)23-30-21(12-22(31-23)25(26,27)28)18-7-6-15(2)29-13-18;1-15-7-10-22(32-3)20(11-15)17-5-4-6-18(12-17)24-30-21(13-23(31-24)25(26,27)28)19-9-8-16(2)29-14-19;1-14-6-8-17(11-20(14)25)16-4-3-5-18(10-16)23-30-21(12-22(31-23)24(26,27)28)19-9-7-15(2)29-13-19;1-15-5-3-6-17(11-15)18-7-4-8-19(12-18)23-29-21(13-22(30-23)24(25,26)27)20-10-9-16(2)28-14-20/h4*3-13H,1-2H3,(H,32,33);4-14H,1-3H3;3-13H,1-2H3;3-14H,1-2H3
InChIKeyLSYWKRJGYROCQU-UHFFFAOYSA-N
XLogP45.01
TPSA429.12 Ų
H-Bond Donors4
H-Bond Acceptors26
Rotatable Bonds26
Heavy Atoms225
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003078.47
LogP ≤ 545.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1026

Analyze 2-[3-(3-chloro-4-methylphenyl)phenyl]-4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidine;2-[3-(2-methoxy-5-methylphenyl)phenyl]-4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidine;bis(2-methyl-5-[3-[4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid);bis(3-methyl-5-[3-[4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid);2-[3-(3-methylphenyl)phenyl]-4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[4-[2-[[4-[4-Chloro-2-(trifluoromethyl)phenyl]-2-propoxyphenyl]methoxy]-5-methylphenyl]pyrimidin-2-yl]piperidine-4-carbonyl] 1-[4-[2-[[4-(6-methoxy-3-pyridinyl)-2-methylphenyl]methoxy]-5-methylphenyl]pyrimidin-2-yl]piperidine-4-carboxylate
CID 91543824
4-[1-[9-chloro-7-[2-fluoro-6-(trifluoromethoxy)phenyl]-5H-pyrimido[5,4-d][2]benzazepin-2-yl]ethyl]benzoic acid
CID 117980707
2-[4-[3,5-Dichloro-4-(trifluoromethyl)phenyl]-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]-5-methylphenol;4-[4-(2-hydroxy-4-methylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]-3-(trifluoromethyl)benzonitrile;methyl 4-[4-(2-hydroxy-4-methylphenyl)-6-(1-hydroxynaphthalen-2-yl)-1,3,5-triazin-2-yl]benzoate;methyl 4-[4-(2-hydroxy-4-methylphenyl)-6-(5-hydroxyquinolin-6-yl)-1,3,5-triazin-2-yl]benzoate
CID 157158505
N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-N,2-dimethylpropanamide;N,2-dimethyl-N-[(1S)-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide;N,2-dimethyl-N-[(1R)-7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide;N,2-dimethyl-N-(5,6,7,8-tetrahydroisoquinolin-8-yl)propanamide;N,2-dimethyl-N-[(8S)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide;N,2-dimethyl-N-[(8R)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide;N,2-dimethyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]propanamide;N-[(1-ethylpiperidin-4-yl)methyl]-N,2-dimethylpropanamide;N-[(1S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N,2-dimethylpropanamide;N-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N,2-dimethylpropanamide;N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N,2-dimethylpropanamide;(2S)-2-(2-methylpropanoylamino)-2-phenylacetic acid
CID 157193720
2-chloro-4-(2-methylpropyl)pyridine;1-chloro-3-(2-methylpropyl)-5-(trifluoromethoxy)benzene;N'-cyano-2-[3-(2-methylpropyl)phenyl]ethanimidamide;1-cyano-2-[[3-(2-methylpropyl)phenyl]methyl]guanidine;2-isocyano-4-(2-methylpropyl)pyridine;N-methyl-4-(2-methylpropyl)benzamide;4-(2-methylpropyl)aniline;3-(2-methylpropyl)benzamide;[3-(2-methylpropyl)phenyl]methylurea;1-(2-methylpropyl)-4-(trifluoromethoxy)benzene;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene;2-(2-methylpropyl)-5-(trifluoromethyl)pyridine;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine
CID 157231491
2-chloro-4-(2-methylpropyl)benzoic acid;1-(difluoromethoxy)-2-(2-methylpropyl)benzene;1-(difluoromethoxy)-4-(2-methylpropyl)benzene;2,2-difluoro-5-(2-methylpropyl)-1,3-benzodioxole;N,N-dimethyl-3-(2-methylpropyl)benzamide;N,N-dimethyl-4-(2-methylpropyl)benzamide;2-fluoro-4-(2-methylpropyl)benzamide;2-fluoro-5-(2-methylpropyl)benzamide;5-fluoro-2-(2-methylpropyl)benzamide;N-methyl-3-(2-methylpropyl)benzamide;N-methyl-4-(2-methylpropyl)benzamide;2-methyl-4-(2-methylpropyl)benzoic acid;2-(2-methylpropyl)benzamide;3-(2-methylpropyl)benzamide;2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine;1-(2-methylpropyl)-4-(trifluoromethoxy)benzene;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine
CID 157320436
5-Butyl-2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3-fluorophenyl]pyrimidine;5-butyl-2-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3-fluorophenyl]pyrimidine;2-[4-[(4-chloro-3-fluorophenoxy)-difluoromethyl]-3-fluorophenyl]-5-pentylpyrimidine;(4-chlorophenyl) 4-(5-butylpyrimidin-2-yl)-2,6-difluorobenzoate;2-[4-[difluoro-[3-fluoro-4-(1,1,2,2-tetrafluoroethoxy)phenoxy]methyl]-3-fluorophenyl]-5-hexylpyrimidine;(3,4-difluorophenyl) 2,6-difluoro-4-[5-(3-fluoropropyl)pyrimidin-2-yl]benzoate;2-[3-fluoro-4-[1-fluoro-1-(3,4,5-trifluorophenoxy)ethyl]phenyl]-5-pentylpyrimidine;(4-fluorophenyl) 2,6-difluoro-4-(5-hexylpyrimidin-2-yl)benzoate;(4-methylphenyl) 2,6-difluoro-4-(5-pentylpyrimidin-2-yl)benzoate
CID 157346303
1-tert-butyl-2-chlorobenzene;1-tert-butyl-3-chlorobenzene;1-tert-butyl-2-chloro-4-fluorobenzene;1-tert-butyl-3,5-dichlorobenzene;2-tert-butyl-1,3-dichlorobenzene;4-tert-butyl-1,2-difluorobenzene;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2,3-dimethylbenzene;1-tert-butyl-2-fluorobenzene;(3-tert-butyl-4-methoxy-2-pyridinyl)methanol;(5-tert-butyl-6-methoxypyrimidin-4-yl)methanol;1-(3-tert-butylphenyl)ethanone;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butyl-2-(trifluoromethyl)benzene;1-tert-butyl-3-(trifluoromethyl)benzene
CID 157389170
2-chloro-4-(2-methylpropyl)pyridine;1-chloro-3-(2-methylpropyl)-5-(trifluoromethoxy)benzene;1-cyano-2-[3-(2-methylpropyl)phenyl]guanidine;1-cyano-2-[[3-(2-methylpropyl)phenyl]methyl]guanidine;4-(2,2-dimethylpropyl)-N-methylbenzamide;2-isocyano-4-(2-methylpropyl)pyridine;4-(2-methylpropyl)aniline;3-(2-methylpropyl)benzamide;[3-(2-methylpropyl)phenyl]methylurea;1-(2-methylpropyl)-4-(trifluoromethoxy)benzene;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine;5-(2-methylpropyl)-2-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine
CID 157397105
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
1-Chloro-2,3-di(propan-2-yl)benzene;6-chloro-2,3-di(propan-2-yl)pyridine;6-cyclopropyl-2,3-di(propan-2-yl)pyridine;1,4-difluoro-2,3-di(propan-2-yl)benzene;1,2-di(propan-2-yl)benzene;2,3-di(propan-2-yl)phenol;1-[3,4-di(propan-2-yl)phenyl]but-3-en-2-one;2,3-di(propan-2-yl)pyridine;bis(3,4-di(propan-2-yl)pyridine);2,3-di(propan-2-yl)-6-(trifluoromethyl)pyridine;bis(1-fluoro-2,3-di(propan-2-yl)benzene);2-fluoro-3,4-di(propan-2-yl)pyridine;2-fluoro-4,5-di(propan-2-yl)pyridine;3-fluoro-4,5-di(propan-2-yl)pyridine;6-fluoro-2,3-di(propan-2-yl)pyridine;1-fluoro-4-methoxy-2,3-di(propan-2-yl)benzene;1-methoxy-2,3-di(propan-2-yl)benzene;4-methoxy-1,2-di(propan-2-yl)benzene;2-methoxy-4,5-di(propan-2-yl)pyridine;6-methoxy-2,3-di(propan-2-yl)pyridine;2-methyl-4,5-di(propan-2-yl)pyridine;6-methyl-2,3-di(propan-2-yl)pyridine;1-propan-2-yl-6-propan-2-ylidenecyclohexa-1,4-diene
CID 157423821
2-Tert-butyl-5-(2-methylpropyl)phenol;1-cyano-2-[[3-(2-methylpropyl)phenyl]methyl]guanidine;2,6-dichloro-4-(2-methylpropyl)phenol;2,6-dimethyl-4-(2-methylpropyl)phenol;2-isocyano-4-(2-methylpropyl)pyridine;3-(2-methylpropyl)benzamide;4-(2-methylpropyl)phenol;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene;2-(2-methylpropyl)-6-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyridine;5-(2-methylpropyl)-2-(trifluoromethyl)pyridine;4-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine
CID 157522276

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-chloro-4-methylphenyl)phenyl]-4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidine;2-[3-(2-methoxy-5-methylphenyl)phenyl]-4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidine;bis(2-methyl-5-[3-[4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid);bis(3-methyl-5-[3-[4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid);2-[3-(3-methylphenyl)phenyl]-4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-[3-(3-chloro-4-methylphenyl)phenyl]-4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidine;2-[3-(2-methoxy-5-methylphenyl)phenyl]-4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidine;bis(2-methyl-5-[3-[4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid);bis(3-methyl-5-[3-[4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid);2-[3-(3-methylphenyl)phenyl]-4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidine (CID 159447718) is 2-[3-(3-chloro-4-methylphenyl)phenyl]-4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidine;2-[3-(2-methoxy-5-methylphenyl)phenyl]-4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidine;bis(2-methyl-5-[3-[4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid);bis(3-methyl-5-[3-[4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid);2-[3-(3-methylphenyl)phenyl]-4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-[3-(3-chloro-4-methylphenyl)phenyl]-4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidine;2-[3-(2-methoxy-5-methylphenyl)phenyl]-4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidine;bis(2-methyl-5-[3-[4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid);bis(3-methyl-5-[3-[4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid);2-[3-(3-methylphenyl)phenyl]-4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-[3-(3-chloro-4-methylphenyl)phenyl]-4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidine;2-[3-(2-methoxy-5-methylphenyl)phenyl]-4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidine;bis(2-methyl-5-[3-[4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid);bis(3-methyl-5-[3-[4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid);2-[3-(3-methylphenyl)phenyl]-4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidine is COc1ccc(C)cc1-c1cccc(-c2nc(-c3ccc(C)nc3)cc(C(F)(F)F)n2)c1.Cc1cc(C(=O)O)cc(-c2cccc(-c3nc(-c4ccc(C)nc4)cc(C(F)(F)F)n3)c2)c1.Cc1cc(C(=O)O)cc(-c2cccc(-c3nc(-c4ccc(C)nc4)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)cn1.Cc1ccc(-c2cc(C(F)(F)F)nc(-c3cccc(-c4ccc(C)c(C(=O)O)c4)c3)n2)cn1.Cc1ccc(-c2cc(C(F)(F)F)nc(-c3cccc(-c4ccc(C)c(Cl)c4)c3)n2)cn1.Cc1cccc(-c2cccc(-c3nc(-c4ccc(C)nc4)cc(C(F)(F)F)n3)c2)c1.
What is the InChIKey of 2-[3-(3-chloro-4-methylphenyl)phenyl]-4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidine;2-[3-(2-methoxy-5-methylphenyl)phenyl]-4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidine;bis(2-methyl-5-[3-[4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid);bis(3-methyl-5-[3-[4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid);2-[3-(3-methylphenyl)phenyl]-4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidine?
The InChIKey is LSYWKRJGYROCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/4C25H18F3N3O2.C25H20F3N3O.C24H17ClF3N3.C24H18F3N3/c2*1-14-6-8-17(11-20(14)24(32)33)16-4-3-5-18(10-16)23-30-21(12-22(31-23)25(26,27)28)19-9-7-15(2)29-13-19;2*1-14-8-19(11-20(9-14)24(32)33)16-4-3-5-17(10-16)23-30-21(12-22(31-23)25(26,27)28)18-7-6-15(2)29-13-18;1-15-7-10-22(32-3)20(11-15)17-5-4-6-18(12-17)24-30-21(13-23(31-24)25(26,27)28)19-9-8-16(2)29-14-19;1-14-6-8-17(11-20(14)25)16-4-3-5-18(10-16)23-30-21(12-22(31-23)24(26,27)28)19-9-7-15(2)29-13-19;1-15-5-3-6-17(11-15)18-7-4-8-19(12-18)23-29-21(13-22(30-23)24(25,26)27)20-10-9-16(2)28-14-20/h4*3-13H,1-2H3,(H,32,33);4-14H,1-3H3;3-13H,1-2H3;3-14H,1-2H3.
What are the key properties of 2-[3-(3-chloro-4-methylphenyl)phenyl]-4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidine;2-[3-(2-methoxy-5-methylphenyl)phenyl]-4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidine;bis(2-methyl-5-[3-[4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid);bis(3-methyl-5-[3-[4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid);2-[3-(3-methylphenyl)phenyl]-4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidine?
2-[3-(3-chloro-4-methylphenyl)phenyl]-4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidine;2-[3-(2-methoxy-5-methylphenyl)phenyl]-4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidine;bis(2-methyl-5-[3-[4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid);bis(3-methyl-5-[3-[4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid);2-[3-(3-methylphenyl)phenyl]-4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidine has a molecular weight of 3078.47 g/mol, XLogP of 45.01, 26 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-chloro-4-methylphenyl)phenyl]-4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidine;2-[3-(2-methoxy-5-methylphenyl)phenyl]-4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidine;bis(2-methyl-5-[3-[4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid);bis(3-methyl-5-[3-[4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid);2-[3-(3-methylphenyl)phenyl]-4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 159447718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).