1-(4-chloro-3-methylphenyl)-2-methylpropan-1-one;4,6-dimethyl-2-propan-2-ylpyrimidine;5-ethyl-2-(3-methyl-2-oxobutyl)benzoic acid;1-(2-fluoro-4-methylphenyl)-2-methylpropan-1-one;1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methylpropan-1-one;1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylpropan-1-one;methane;1-(3-methylbutyl)-2-(trifluoromethyl)benzene;1-methyl-3-(3-methylbutyl)benzene;2-methyl-1-(3-methylphenyl)propan-1-one;methyl 3-(2-methylpropanoyl)benzoate;4-(3-methyl-2-oxobutyl)pyridine-3-carboxylic acid;bis(4-methyl-2-propan-2-ylpyrimidine);1-(2-methylpropyl)-3-(trifluoromethyl)benzene;3-methyl-1-[2-(trifluoromethyl)phenyl]butan-2-one;2-methyl-1-[4-(trifluoromethyl)phenyl]propan-1-one;2-methyl-1-[2-(trifluoromethyl)-4-pyridinyl]propan-1-one;2-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]propan-1-one;2-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-one;2-propan-2-ylpyrimidine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine

C225H282ClF33N14O19 — CID 159938070

IUPAC1-(4-chloro-3-methylphenyl)-2-methylpropan-1-one;4,6-dimethyl-2-propan-2-ylpyrimidine;5-ethyl-2-(3-methyl-2-oxobutyl)benzoic acid;1-(2-fluoro-4-methylphenyl)-2-methylpropan-1-one;1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methylpropan-1-one;1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylpropan-1-one;methane;1-(3-methylbutyl)-2-(trifluoromethyl)benzene;1-methyl-3-(3-methylbutyl)benzene;2-methyl-1-(3-methylphenyl)propan-1-one;methyl 3-(2-methylpropanoyl)benzoate;4-(3-methyl-2-oxobutyl)pyridine-3-carboxylic acid;bis(4-methyl-2-propan-2-ylpyrimidine);1-(2-methylpropyl)-3-(trifluoromethyl)benzene;3-methyl-1-[2-(trifluoromethyl)phenyl]butan-2-one;2-methyl-1-[4-(trifluoromethyl)phenyl]propan-1-one;2-methyl-1-[2-(trifluoromethyl)-4-pyridinyl]propan-1-one;2-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]propan-1-one;2-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-one;2-propan-2-ylpyrimidine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine
SMILESC.C.C.C.C.CC(C)C(=O)Cc1ccccc1C(F)(F)F.CC(C)C(=O)Cc1ccncc1C(=O)O.CC(C)C(=O)c1cc(C(F)(F)F)ccn1.CC(C)C(=O)c1ccc(C(F)(F)F)c(F)c1.CC(C)C(=O)c1ccc(C(F)(F)F)cc1.CC(C)C(=O)c1ccc(F)c(C(F)(F)F)c1.CC(C)C(=O)c1ccnc(C(F)(F)F)c1.CC(C)C(=O)c1cnccc1C(F)(F)F.CC(C)CCc1ccccc1C(F)(F)F.CC(C)Cc1cccc(C(F)(F)F)c1.CC(C)c1nccc(C(F)(F)F)n1.CC(C)c1ncccn1.CCc1ccc(CC(=O)C(C)C)c(C(=O)O)c1.COC(=O)c1cccc(C(=O)C(C)C)c1.Cc1cc(C(=O)C(C)C)ccc1Cl.Cc1cc(C)nc(C(C)C)n1.Cc1ccc(C(=O)C(C)C)c(F)c1.Cc1cccc(C(=O)C(C)C)c1.Cc1cccc(CCC(C)C)c1.Cc1ccnc(C(C)C)n1.Cc1ccnc(C(C)C)n1
InChIInChI=1S/C14H18O3.C12H13F3O.C12H15F3.C12H14O3.C12H18.C11H13ClO.2C11H10F4O.C11H11F3O.C11H13F3.C11H13FO.C11H13NO3.C11H14O.3C10H10F3NO.C9H14N2.C8H9F3N2.2C8H12N2.C7H10N2.5CH4/c1-4-10-5-6-11(8-13(15)9(2)3)12(7-10)14(16)17;1-8(2)11(16)7-9-5-3-4-6-10(9)12(13,14)15;1-9(2)7-8-10-5-3-4-6-11(10)12(13,14)15;1-8(2)11(13)9-5-4-6-10(7-9)12(14)15-3;1-10(2)7-8-12-6-4-5-11(3)9-12;1-7(2)11(13)9-4-5-10(12)8(3)6-9;1-6(2)10(16)7-3-4-9(12)8(5-7)11(13,14)15;1-6(2)10(16)7-3-4-8(9(12)5-7)11(13,14)15;1-7(2)10(15)8-3-5-9(6-4-8)11(12,13)14;1-8(2)6-9-4-3-5-10(7-9)11(12,13)14;1-7(2)11(13)9-5-4-8(3)6-10(9)12;1-7(2)10(13)5-8-3-4-12-6-9(8)11(14)15;1-8(2)11(12)10-6-4-5-9(3)7-10;1-6(2)9(15)7-5-14-4-3-8(7)10(11,12)13;1-6(2)9(15)8-5-7(3-4-14-8)10(11,12)13;1-6(2)9(15)7-3-4-14-8(5-7)10(11,12)13;1-6(2)9-10-7(3)5-8(4)11-9;1-5(2)7-12-4-3-6(13-7)8(9,10)11;2*1-6(2)8-9-5-4-7(3)10-8;1-6(2)7-8-4-3-5-9-7;;;;;/h5-7,9H,4,8H2,1-3H3,(H,16,17);3-6,8H,7H2,1-2H3;3-6,9H,7-8H2,1-2H3;4-8H,1-3H3;4-6,9-10H,7-8H2,1-3H3;4-7H,1-3H3;2*3-6H,1-2H3;3-7H,1-2H3;3-5,7-8H,6H2,1-2H3;4-7H,1-3H3;3-4,6-7H,5H2,1-2H3,(H,14,15);4-8H,1-3H3;3*3-6H,1-2H3;5-6H,1-4H3;3-5H,1-2H3;2*4-6H,1-3H3;3-6H,1-2H3;5*1H4
InChIKeyOANCFILRKBVUHH-UHFFFAOYSA-N
MW4149.20 g/mol
LogP64.28
Rot. Bonds46

About 1-(4-chloro-3-methylphenyl)-2-methylpropan-1-one;4,6-dimethyl-2-propan-2-ylpyrimidine;5-ethyl-2-(3-methyl-2-oxobutyl)benzoic acid;1-(2-fluoro-4-methylphenyl)-2-methylpropan-1-one;1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methylpropan-1-one;1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylpropan-1-one;methane;1-(3-methylbutyl)-2-(trifluoromethyl)benzene;1-methyl-3-(3-methylbutyl)benzene;2-methyl-1-(3-methylphenyl)propan-1-one;methyl 3-(2-methylpropanoyl)benzoate;4-(3-methyl-2-oxobutyl)pyridine-3-carboxylic acid;bis(4-methyl-2-propan-2-ylpyrimidine);1-(2-methylpropyl)-3-(trifluoromethyl)benzene;3-methyl-1-[2-(trifluoromethyl)phenyl]butan-2-one;2-methyl-1-[4-(trifluoromethyl)phenyl]propan-1-one;2-methyl-1-[2-(trifluoromethyl)-4-pyridinyl]propan-1-one;2-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]propan-1-one;2-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-one;2-propan-2-ylpyrimidine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine

1-(4-chloro-3-methylphenyl)-2-methylpropan-1-one;4,6-dimethyl-2-propan-2-ylpyrimidine;5-ethyl-2-(3-methyl-2-oxobutyl)benzoic acid;1-(2-fluoro-4-methylphenyl)-2-methylpropan-1-one;1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methylpropan-1-one;1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylpropan-1-one;methane;1-(3-methylbutyl)-2-(trifluoromethyl)benzene;1-methyl-3-(3-methylbutyl)benzene;2-methyl-1-(3-methylphenyl)propan-1-one;methyl 3-(2-methylpropanoyl)benzoate;4-(3-methyl-2-oxobutyl)pyridine-3-carboxylic acid;bis(4-methyl-2-propan-2-ylpyrimidine);1-(2-methylpropyl)-3-(trifluoromethyl)benzene;3-methyl-1-[2-(trifluoromethyl)phenyl]butan-2-one;2-methyl-1-[4-(trifluoromethyl)phenyl]propan-1-one;2-methyl-1-[2-(trifluoromethyl)-4-pyridinyl]propan-1-one;2-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]propan-1-one;2-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-one;2-propan-2-ylpyrimidine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine (PubChem CID 159938070) has the molecular formula C225H282ClF33N14O19 and a molecular weight of 4149.20 g/mol. Its IUPAC name is 1-(4-chloro-3-methylphenyl)-2-methylpropan-1-one;4,6-dimethyl-2-propan-2-ylpyrimidine;5-ethyl-2-(3-methyl-2-oxobutyl)benzoic acid;1-(2-fluoro-4-methylphenyl)-2-methylpropan-1-one;1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methylpropan-1-one;1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylpropan-1-one;methane;1-(3-methylbutyl)-2-(trifluoromethyl)benzene;1-methyl-3-(3-methylbutyl)benzene;2-methyl-1-(3-methylphenyl)propan-1-one;methyl 3-(2-methylpropanoyl)benzoate;4-(3-methyl-2-oxobutyl)pyridine-3-carboxylic acid;bis(4-methyl-2-propan-2-ylpyrimidine);1-(2-methylpropyl)-3-(trifluoromethyl)benzene;3-methyl-1-[2-(trifluoromethyl)phenyl]butan-2-one;2-methyl-1-[4-(trifluoromethyl)phenyl]propan-1-one;2-methyl-1-[2-(trifluoromethyl)-4-pyridinyl]propan-1-one;2-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]propan-1-one;2-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-one;2-propan-2-ylpyrimidine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name1-(4-chloro-3-methylphenyl)-2-methylpropan-1-one;4,6-dimethyl-2-propan-2-ylpyrimidine;5-ethyl-2-(3-methyl-2-oxobutyl)benzoic acid;1-(2-fluoro-4-methylphenyl)-2-methylpropan-1-one;1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methylpropan-1-one;1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylpropan-1-one;methane;1-(3-methylbutyl)-2-(trifluoromethyl)benzene;1-methyl-3-(3-methylbutyl)benzene;2-methyl-1-(3-methylphenyl)propan-1-one;methyl 3-(2-methylpropanoyl)benzoate;4-(3-methyl-2-oxobutyl)pyridine-3-carboxylic acid;bis(4-methyl-2-propan-2-ylpyrimidine);1-(2-methylpropyl)-3-(trifluoromethyl)benzene;3-methyl-1-[2-(trifluoromethyl)phenyl]butan-2-one;2-methyl-1-[4-(trifluoromethyl)phenyl]propan-1-one;2-methyl-1-[2-(trifluoromethyl)-4-pyridinyl]propan-1-one;2-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]propan-1-one;2-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-one;2-propan-2-ylpyrimidine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine
PubChem CID159938070
Molecular FormulaC225H282ClF33N14O19
Molecular Weight4149.20 g/mol
Exact Mass4146.07
IUPAC Name1-(4-chloro-3-methylphenyl)-2-methylpropan-1-one;4,6-dimethyl-2-propan-2-ylpyrimidine;5-ethyl-2-(3-methyl-2-oxobutyl)benzoic acid;1-(2-fluoro-4-methylphenyl)-2-methylpropan-1-one;1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methylpropan-1-one;1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylpropan-1-one;methane;1-(3-methylbutyl)-2-(trifluoromethyl)benzene;1-methyl-3-(3-methylbutyl)benzene;2-methyl-1-(3-methylphenyl)propan-1-one;methyl 3-(2-methylpropanoyl)benzoate;4-(3-methyl-2-oxobutyl)pyridine-3-carboxylic acid;bis(4-methyl-2-propan-2-ylpyrimidine);1-(2-methylpropyl)-3-(trifluoromethyl)benzene;3-methyl-1-[2-(trifluoromethyl)phenyl]butan-2-one;2-methyl-1-[4-(trifluoromethyl)phenyl]propan-1-one;2-methyl-1-[2-(trifluoromethyl)-4-pyridinyl]propan-1-one;2-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]propan-1-one;2-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-one;2-propan-2-ylpyrimidine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine
SMILESC.C.C.C.C.CC(C)C(=O)Cc1ccccc1C(F)(F)F.CC(C)C(=O)Cc1ccncc1C(=O)O.CC(C)C(=O)c1cc(C(F)(F)F)ccn1.CC(C)C(=O)c1ccc(C(F)(F)F)c(F)c1.CC(C)C(=O)c1ccc(C(F)(F)F)cc1.CC(C)C(=O)c1ccc(F)c(C(F)(F)F)c1.CC(C)C(=O)c1ccnc(C(F)(F)F)c1.CC(C)C(=O)c1cnccc1C(F)(F)F.CC(C)CCc1ccccc1C(F)(F)F.CC(C)Cc1cccc(C(F)(F)F)c1.CC(C)c1nccc(C(F)(F)F)n1.CC(C)c1ncccn1.CCc1ccc(CC(=O)C(C)C)c(C(=O)O)c1.COC(=O)c1cccc(C(=O)C(C)C)c1.Cc1cc(C(=O)C(C)C)ccc1Cl.Cc1cc(C)nc(C(C)C)n1.Cc1ccc(C(=O)C(C)C)c(F)c1.Cc1cccc(C(=O)C(C)C)c1.Cc1cccc(CCC(C)C)c1.Cc1ccnc(C(C)C)n1.Cc1ccnc(C(C)C)n1
InChIInChI=1S/C14H18O3.C12H13F3O.C12H15F3.C12H14O3.C12H18.C11H13ClO.2C11H10F4O.C11H11F3O.C11H13F3.C11H13FO.C11H13NO3.C11H14O.3C10H10F3NO.C9H14N2.C8H9F3N2.2C8H12N2.C7H10N2.5CH4/c1-4-10-5-6-11(8-13(15)9(2)3)12(7-10)14(16)17;1-8(2)11(16)7-9-5-3-4-6-10(9)12(13,14)15;1-9(2)7-8-10-5-3-4-6-11(10)12(13,14)15;1-8(2)11(13)9-5-4-6-10(7-9)12(14)15-3;1-10(2)7-8-12-6-4-5-11(3)9-12;1-7(2)11(13)9-4-5-10(12)8(3)6-9;1-6(2)10(16)7-3-4-9(12)8(5-7)11(13,14)15;1-6(2)10(16)7-3-4-8(9(12)5-7)11(13,14)15;1-7(2)10(15)8-3-5-9(6-4-8)11(12,13)14;1-8(2)6-9-4-3-5-10(7-9)11(12,13)14;1-7(2)11(13)9-5-4-8(3)6-10(9)12;1-7(2)10(13)5-8-3-4-12-6-9(8)11(14)15;1-8(2)11(12)10-6-4-5-9(3)7-10;1-6(2)9(15)7-5-14-4-3-8(7)10(11,12)13;1-6(2)9(15)8-5-7(3-4-14-8)10(11,12)13;1-6(2)9(15)7-3-4-14-8(5-7)10(11,12)13;1-6(2)9-10-7(3)5-8(4)11-9;1-5(2)7-12-4-3-6(13-7)8(9,10)11;2*1-6(2)8-9-5-4-7(3)10-8;1-6(2)7-8-4-3-5-9-7;;;;;/h5-7,9H,4,8H2,1-3H3,(H,16,17);3-6,8H,7H2,1-2H3;3-6,9H,7-8H2,1-2H3;4-8H,1-3H3;4-6,9-10H,7-8H2,1-3H3;4-7H,1-3H3;2*3-6H,1-2H3;3-7H,1-2H3;3-5,7-8H,6H2,1-2H3;4-7H,1-3H3;3-4,6-7H,5H2,1-2H3,(H,14,15);4-8H,1-3H3;3*3-6H,1-2H3;5-6H,1-4H3;3-5H,1-2H3;2*4-6H,1-3H3;3-6H,1-2H3;5*1H4
InChIKeyOANCFILRKBVUHH-UHFFFAOYSA-N
XLogP64.28
TPSA503.27 Ų
H-Bond Donors2
H-Bond Acceptors31
Rotatable Bonds46
Heavy Atoms292
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004149.20
LogP ≤ 564.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1031

Analyze 1-(4-chloro-3-methylphenyl)-2-methylpropan-1-one;4,6-dimethyl-2-propan-2-ylpyrimidine;5-ethyl-2-(3-methyl-2-oxobutyl)benzoic acid;1-(2-fluoro-4-methylphenyl)-2-methylpropan-1-one;1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methylpropan-1-one;1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylpropan-1-one;methane;1-(3-methylbutyl)-2-(trifluoromethyl)benzene;1-methyl-3-(3-methylbutyl)benzene;2-methyl-1-(3-methylphenyl)propan-1-one;methyl 3-(2-methylpropanoyl)benzoate;4-(3-methyl-2-oxobutyl)pyridine-3-carboxylic acid;bis(4-methyl-2-propan-2-ylpyrimidine);1-(2-methylpropyl)-3-(trifluoromethyl)benzene;3-methyl-1-[2-(trifluoromethyl)phenyl]butan-2-one;2-methyl-1-[4-(trifluoromethyl)phenyl]propan-1-one;2-methyl-1-[2-(trifluoromethyl)-4-pyridinyl]propan-1-one;2-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]propan-1-one;2-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-one;2-propan-2-ylpyrimidine;2-propan-2-yl-4-(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

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-Chloro-4-fluoro-1-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;cumene;1-fluoro-4-propan-2-ylbenzene;4-fluoro-1-propan-2-yl-2-(trifluoromethyl)benzene;1-hydroxy-3-propan-2-ylpyridin-1-ium;1-methoxy-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;1-propan-2-yl-2,4-bis(trifluoromethyl)benzene;5-propan-2-ylpyridine-2-carboxylic acid;5-propan-2-yl-2-(trifluoromethyl)pyridine
CID 157854060
4-[2-(2-Chlorophenyl)pyrimidin-4-yl]benzoic acid;4-[2-[4-(1,1-difluoroethoxy)phenyl]pyrimidin-4-yl]benzoic acid;4-[2-[2-(1,1-difluoroethyl)phenyl]pyrimidin-4-yl]benzoic acid;4-[2-(4-methoxyphenyl)pyrimidin-4-yl]benzoic acid;3-[4-(4-methylphenyl)pyrimidin-2-yl]benzoic acid;4-[2-(2-methylphenyl)pyrimidin-4-yl]benzoic acid;4-(2-phenylpyrimidin-4-yl)benzoic acid
CID 157940670
CID 158150959
CID 158150959
1-(4-Chloro-3-methylphenyl)-2-methylpropan-1-one;4,6-dimethyl-2-propan-2-ylpyrimidine;5-ethyl-2-(3-methyl-2-oxobutyl)benzoic acid;1-(2-fluoro-4-methylphenyl)-2-methylpropan-1-one;1-(3-fluoro-4-methylphenyl)-2-methylpropan-1-one;1-(4-fluoro-3-methylphenyl)-2-methylpropan-1-one;1-(3-methylbutyl)-2-(trifluoromethyl)benzene;1-methyl-3-(3-methylbutyl)benzene;bis(2-methyl-1-(3-methylphenyl)propan-1-one);1-methyl-3-(2-methylpropyl)benzene;2-methyl-1-(2-methyl-4-pyridinyl)propan-1-one;2-methyl-1-(4-methyl-2-pyridinyl)propan-1-one;2-(3-methyl-2-oxobutyl)benzoic acid;tris(4-methyl-2-propan-2-ylpyrimidine);3-methyl-1-[2-(trifluoromethyl)phenyl]butan-2-one;2-methyl-1-[4-(trifluoromethyl)phenyl]propan-1-one;2-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-one;2-propan-2-ylpyrimidine
CID 158458698
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-(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
1-(4-Chloro-3-methylphenyl)-2-methylpropan-1-one;4,6-dimethyl-2-propan-2-ylpyrimidine;5-ethyl-2-(3-methyl-2-oxobutyl)benzoic acid;1-(2-fluoro-4-methylphenyl)-2-methylpropan-1-one;1-(3-fluoro-4-methylphenyl)-2-methylpropan-1-one;1-(4-fluoro-3-methylphenyl)-2-methylpropan-1-one;1-(3-methylbutyl)-2-(trifluoromethyl)benzene;1-methyl-3-(3-methylbutyl)benzene;bis(2-methyl-1-(3-methylphenyl)propan-1-one);1-methyl-3-(2-methylpropyl)benzene;2-methyl-1-(2-methyl-4-pyridinyl)propan-1-one;2-methyl-1-(4-methyl-2-pyridinyl)propan-1-one;2-(3-methyl-2-oxobutyl)benzoic acid;tris(4-methyl-2-propan-2-ylpyrimidine);2-methyl-1-[3-(trifluoromethyl)phenyl]propan-1-one;2-methyl-1-[4-(trifluoromethyl)phenyl]propan-1-one;2-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-one;2-propan-2-ylpyrimidine
CID 159572659
CID 159881536
CID 159881536
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;2-[3-(2-methoxy-5-methylphenyl)phenyl]-4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidine;2-methyl-5-[3-[4-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid;2-methyl-5-[3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzoic acid
CID 160388637
4-Chloro-2-methyl-1-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;cumene;4-fluoro-2-methyl-1-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;4-fluoro-1-propan-2-yl-2-(trifluoromethyl)benzene;methane;1-methoxy-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyridin-1-ium;2-methyl-5-propan-2-ylpyrimidine;2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-ylpyridine-2-carboxylic acid;5-propan-2-yl-2-(trifluoromethyl)pyridine
CID 161535119
2-[3-(2-Chloro-4-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
CID 161904959

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methylphenyl)-2-methylpropan-1-one;4,6-dimethyl-2-propan-2-ylpyrimidine;5-ethyl-2-(3-methyl-2-oxobutyl)benzoic acid;1-(2-fluoro-4-methylphenyl)-2-methylpropan-1-one;1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methylpropan-1-one;1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylpropan-1-one;methane;1-(3-methylbutyl)-2-(trifluoromethyl)benzene;1-methyl-3-(3-methylbutyl)benzene;2-methyl-1-(3-methylphenyl)propan-1-one;methyl 3-(2-methylpropanoyl)benzoate;4-(3-methyl-2-oxobutyl)pyridine-3-carboxylic acid;bis(4-methyl-2-propan-2-ylpyrimidine);1-(2-methylpropyl)-3-(trifluoromethyl)benzene;3-methyl-1-[2-(trifluoromethyl)phenyl]butan-2-one;2-methyl-1-[4-(trifluoromethyl)phenyl]propan-1-one;2-methyl-1-[2-(trifluoromethyl)-4-pyridinyl]propan-1-one;2-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]propan-1-one;2-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-one;2-propan-2-ylpyrimidine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine?
The IUPAC name of 1-(4-chloro-3-methylphenyl)-2-methylpropan-1-one;4,6-dimethyl-2-propan-2-ylpyrimidine;5-ethyl-2-(3-methyl-2-oxobutyl)benzoic acid;1-(2-fluoro-4-methylphenyl)-2-methylpropan-1-one;1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methylpropan-1-one;1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylpropan-1-one;methane;1-(3-methylbutyl)-2-(trifluoromethyl)benzene;1-methyl-3-(3-methylbutyl)benzene;2-methyl-1-(3-methylphenyl)propan-1-one;methyl 3-(2-methylpropanoyl)benzoate;4-(3-methyl-2-oxobutyl)pyridine-3-carboxylic acid;bis(4-methyl-2-propan-2-ylpyrimidine);1-(2-methylpropyl)-3-(trifluoromethyl)benzene;3-methyl-1-[2-(trifluoromethyl)phenyl]butan-2-one;2-methyl-1-[4-(trifluoromethyl)phenyl]propan-1-one;2-methyl-1-[2-(trifluoromethyl)-4-pyridinyl]propan-1-one;2-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]propan-1-one;2-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-one;2-propan-2-ylpyrimidine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine (CID 159938070) is 1-(4-chloro-3-methylphenyl)-2-methylpropan-1-one;4,6-dimethyl-2-propan-2-ylpyrimidine;5-ethyl-2-(3-methyl-2-oxobutyl)benzoic acid;1-(2-fluoro-4-methylphenyl)-2-methylpropan-1-one;1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methylpropan-1-one;1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylpropan-1-one;methane;1-(3-methylbutyl)-2-(trifluoromethyl)benzene;1-methyl-3-(3-methylbutyl)benzene;2-methyl-1-(3-methylphenyl)propan-1-one;methyl 3-(2-methylpropanoyl)benzoate;4-(3-methyl-2-oxobutyl)pyridine-3-carboxylic acid;bis(4-methyl-2-propan-2-ylpyrimidine);1-(2-methylpropyl)-3-(trifluoromethyl)benzene;3-methyl-1-[2-(trifluoromethyl)phenyl]butan-2-one;2-methyl-1-[4-(trifluoromethyl)phenyl]propan-1-one;2-methyl-1-[2-(trifluoromethyl)-4-pyridinyl]propan-1-one;2-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]propan-1-one;2-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-one;2-propan-2-ylpyrimidine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 1-(4-chloro-3-methylphenyl)-2-methylpropan-1-one;4,6-dimethyl-2-propan-2-ylpyrimidine;5-ethyl-2-(3-methyl-2-oxobutyl)benzoic acid;1-(2-fluoro-4-methylphenyl)-2-methylpropan-1-one;1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methylpropan-1-one;1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylpropan-1-one;methane;1-(3-methylbutyl)-2-(trifluoromethyl)benzene;1-methyl-3-(3-methylbutyl)benzene;2-methyl-1-(3-methylphenyl)propan-1-one;methyl 3-(2-methylpropanoyl)benzoate;4-(3-methyl-2-oxobutyl)pyridine-3-carboxylic acid;bis(4-methyl-2-propan-2-ylpyrimidine);1-(2-methylpropyl)-3-(trifluoromethyl)benzene;3-methyl-1-[2-(trifluoromethyl)phenyl]butan-2-one;2-methyl-1-[4-(trifluoromethyl)phenyl]propan-1-one;2-methyl-1-[2-(trifluoromethyl)-4-pyridinyl]propan-1-one;2-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]propan-1-one;2-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-one;2-propan-2-ylpyrimidine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine?
The canonical SMILES for 1-(4-chloro-3-methylphenyl)-2-methylpropan-1-one;4,6-dimethyl-2-propan-2-ylpyrimidine;5-ethyl-2-(3-methyl-2-oxobutyl)benzoic acid;1-(2-fluoro-4-methylphenyl)-2-methylpropan-1-one;1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methylpropan-1-one;1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylpropan-1-one;methane;1-(3-methylbutyl)-2-(trifluoromethyl)benzene;1-methyl-3-(3-methylbutyl)benzene;2-methyl-1-(3-methylphenyl)propan-1-one;methyl 3-(2-methylpropanoyl)benzoate;4-(3-methyl-2-oxobutyl)pyridine-3-carboxylic acid;bis(4-methyl-2-propan-2-ylpyrimidine);1-(2-methylpropyl)-3-(trifluoromethyl)benzene;3-methyl-1-[2-(trifluoromethyl)phenyl]butan-2-one;2-methyl-1-[4-(trifluoromethyl)phenyl]propan-1-one;2-methyl-1-[2-(trifluoromethyl)-4-pyridinyl]propan-1-one;2-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]propan-1-one;2-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-one;2-propan-2-ylpyrimidine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine is C.C.C.C.C.CC(C)C(=O)Cc1ccccc1C(F)(F)F.CC(C)C(=O)Cc1ccncc1C(=O)O.CC(C)C(=O)c1cc(C(F)(F)F)ccn1.CC(C)C(=O)c1ccc(C(F)(F)F)c(F)c1.CC(C)C(=O)c1ccc(C(F)(F)F)cc1.CC(C)C(=O)c1ccc(F)c(C(F)(F)F)c1.CC(C)C(=O)c1ccnc(C(F)(F)F)c1.CC(C)C(=O)c1cnccc1C(F)(F)F.CC(C)CCc1ccccc1C(F)(F)F.CC(C)Cc1cccc(C(F)(F)F)c1.CC(C)c1nccc(C(F)(F)F)n1.CC(C)c1ncccn1.CCc1ccc(CC(=O)C(C)C)c(C(=O)O)c1.COC(=O)c1cccc(C(=O)C(C)C)c1.Cc1cc(C(=O)C(C)C)ccc1Cl.Cc1cc(C)nc(C(C)C)n1.Cc1ccc(C(=O)C(C)C)c(F)c1.Cc1cccc(C(=O)C(C)C)c1.Cc1cccc(CCC(C)C)c1.Cc1ccnc(C(C)C)n1.Cc1ccnc(C(C)C)n1.
What is the InChIKey of 1-(4-chloro-3-methylphenyl)-2-methylpropan-1-one;4,6-dimethyl-2-propan-2-ylpyrimidine;5-ethyl-2-(3-methyl-2-oxobutyl)benzoic acid;1-(2-fluoro-4-methylphenyl)-2-methylpropan-1-one;1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methylpropan-1-one;1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylpropan-1-one;methane;1-(3-methylbutyl)-2-(trifluoromethyl)benzene;1-methyl-3-(3-methylbutyl)benzene;2-methyl-1-(3-methylphenyl)propan-1-one;methyl 3-(2-methylpropanoyl)benzoate;4-(3-methyl-2-oxobutyl)pyridine-3-carboxylic acid;bis(4-methyl-2-propan-2-ylpyrimidine);1-(2-methylpropyl)-3-(trifluoromethyl)benzene;3-methyl-1-[2-(trifluoromethyl)phenyl]butan-2-one;2-methyl-1-[4-(trifluoromethyl)phenyl]propan-1-one;2-methyl-1-[2-(trifluoromethyl)-4-pyridinyl]propan-1-one;2-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]propan-1-one;2-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-one;2-propan-2-ylpyrimidine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine?
The InChIKey is OANCFILRKBVUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3.C12H13F3O.C12H15F3.C12H14O3.C12H18.C11H13ClO.2C11H10F4O.C11H11F3O.C11H13F3.C11H13FO.C11H13NO3.C11H14O.3C10H10F3NO.C9H14N2.C8H9F3N2.2C8H12N2.C7H10N2.5CH4/c1-4-10-5-6-11(8-13(15)9(2)3)12(7-10)14(16)17;1-8(2)11(16)7-9-5-3-4-6-10(9)12(13,14)15;1-9(2)7-8-10-5-3-4-6-11(10)12(13,14)15;1-8(2)11(13)9-5-4-6-10(7-9)12(14)15-3;1-10(2)7-8-12-6-4-5-11(3)9-12;1-7(2)11(13)9-4-5-10(12)8(3)6-9;1-6(2)10(16)7-3-4-9(12)8(5-7)11(13,14)15;1-6(2)10(16)7-3-4-8(9(12)5-7)11(13,14)15;1-7(2)10(15)8-3-5-9(6-4-8)11(12,13)14;1-8(2)6-9-4-3-5-10(7-9)11(12,13)14;1-7(2)11(13)9-5-4-8(3)6-10(9)12;1-7(2)10(13)5-8-3-4-12-6-9(8)11(14)15;1-8(2)11(12)10-6-4-5-9(3)7-10;1-6(2)9(15)7-5-14-4-3-8(7)10(11,12)13;1-6(2)9(15)8-5-7(3-4-14-8)10(11,12)13;1-6(2)9(15)7-3-4-14-8(5-7)10(11,12)13;1-6(2)9-10-7(3)5-8(4)11-9;1-5(2)7-12-4-3-6(13-7)8(9,10)11;2*1-6(2)8-9-5-4-7(3)10-8;1-6(2)7-8-4-3-5-9-7;;;;;/h5-7,9H,4,8H2,1-3H3,(H,16,17);3-6,8H,7H2,1-2H3;3-6,9H,7-8H2,1-2H3;4-8H,1-3H3;4-6,9-10H,7-8H2,1-3H3;4-7H,1-3H3;2*3-6H,1-2H3;3-7H,1-2H3;3-5,7-8H,6H2,1-2H3;4-7H,1-3H3;3-4,6-7H,5H2,1-2H3,(H,14,15);4-8H,1-3H3;3*3-6H,1-2H3;5-6H,1-4H3;3-5H,1-2H3;2*4-6H,1-3H3;3-6H,1-2H3;5*1H4.
What are the key properties of 1-(4-chloro-3-methylphenyl)-2-methylpropan-1-one;4,6-dimethyl-2-propan-2-ylpyrimidine;5-ethyl-2-(3-methyl-2-oxobutyl)benzoic acid;1-(2-fluoro-4-methylphenyl)-2-methylpropan-1-one;1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methylpropan-1-one;1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylpropan-1-one;methane;1-(3-methylbutyl)-2-(trifluoromethyl)benzene;1-methyl-3-(3-methylbutyl)benzene;2-methyl-1-(3-methylphenyl)propan-1-one;methyl 3-(2-methylpropanoyl)benzoate;4-(3-methyl-2-oxobutyl)pyridine-3-carboxylic acid;bis(4-methyl-2-propan-2-ylpyrimidine);1-(2-methylpropyl)-3-(trifluoromethyl)benzene;3-methyl-1-[2-(trifluoromethyl)phenyl]butan-2-one;2-methyl-1-[4-(trifluoromethyl)phenyl]propan-1-one;2-methyl-1-[2-(trifluoromethyl)-4-pyridinyl]propan-1-one;2-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]propan-1-one;2-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-one;2-propan-2-ylpyrimidine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine?
1-(4-chloro-3-methylphenyl)-2-methylpropan-1-one;4,6-dimethyl-2-propan-2-ylpyrimidine;5-ethyl-2-(3-methyl-2-oxobutyl)benzoic acid;1-(2-fluoro-4-methylphenyl)-2-methylpropan-1-one;1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methylpropan-1-one;1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylpropan-1-one;methane;1-(3-methylbutyl)-2-(trifluoromethyl)benzene;1-methyl-3-(3-methylbutyl)benzene;2-methyl-1-(3-methylphenyl)propan-1-one;methyl 3-(2-methylpropanoyl)benzoate;4-(3-methyl-2-oxobutyl)pyridine-3-carboxylic acid;bis(4-methyl-2-propan-2-ylpyrimidine);1-(2-methylpropyl)-3-(trifluoromethyl)benzene;3-methyl-1-[2-(trifluoromethyl)phenyl]butan-2-one;2-methyl-1-[4-(trifluoromethyl)phenyl]propan-1-one;2-methyl-1-[2-(trifluoromethyl)-4-pyridinyl]propan-1-one;2-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]propan-1-one;2-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-one;2-propan-2-ylpyrimidine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine has a molecular weight of 4149.20 g/mol, XLogP of 64.28, 46 rotatable bonds, 2 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methylphenyl)-2-methylpropan-1-one;4,6-dimethyl-2-propan-2-ylpyrimidine;5-ethyl-2-(3-methyl-2-oxobutyl)benzoic acid;1-(2-fluoro-4-methylphenyl)-2-methylpropan-1-one;1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methylpropan-1-one;1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylpropan-1-one;methane;1-(3-methylbutyl)-2-(trifluoromethyl)benzene;1-methyl-3-(3-methylbutyl)benzene;2-methyl-1-(3-methylphenyl)propan-1-one;methyl 3-(2-methylpropanoyl)benzoate;4-(3-methyl-2-oxobutyl)pyridine-3-carboxylic acid;bis(4-methyl-2-propan-2-ylpyrimidine);1-(2-methylpropyl)-3-(trifluoromethyl)benzene;3-methyl-1-[2-(trifluoromethyl)phenyl]butan-2-one;2-methyl-1-[4-(trifluoromethyl)phenyl]propan-1-one;2-methyl-1-[2-(trifluoromethyl)-4-pyridinyl]propan-1-one;2-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]propan-1-one;2-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-one;2-propan-2-ylpyrimidine;2-propan-2-yl-4-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 159938070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).