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

C219H249ClF5N15O2S3 — CID 159026590

IUPAC1-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
SMILESCC(C)c1ccc(-c2ccccc2)cc1.CC(C)c1ccc(-c2ccccn2)cc1.CC(C)c1ccc(-c2cnccn2)cc1.CC(C)c1ccc(-c2ncc(F)cn2)cc1.CC(C)c1ccc(-c2ncccn2)cc1.CC(C)c1ccc(-c2nccs2)cc1.CC(C)c1cccc(-c2cccs2)c1.CC(C)c1cccc(-c2ccoc2)c1.CC(C)c1cccc(-c2ccsc2)c1.CC(C)c1cccc(C(F)(F)F)c1.CC(C)c1cccc(Cl)c1.CC(C)c1cccc(F)c1.CC(C)c1ccccc1.CNC(=O)c1cccc(C(C)C)c1.Cc1ccc(C(C)C)cc1.Cc1cnc(-c2ccc(C(C)C)cc2)nc1.Cc1cnc(-c2ccc(C(C)C)cc2)nc1.Cc1ncc(-c2ccc(C(C)C)cc2)cn1
InChIInChI=1S/C15H16.3C14H16N2.C14H15N.C13H13FN2.2C13H14N2.C13H14O.2C13H14S.C12H13NS.C11H15NO.C10H11F3.C10H14.C9H11Cl.C9H11F.C9H12/c1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14;1-10(2)12-4-6-13(7-5-12)14-8-15-11(3)16-9-14;2*1-10(2)12-4-6-13(7-5-12)14-15-8-11(3)9-16-14;1-11(2)12-6-8-13(9-7-12)14-5-3-4-10-15-14;1-9(2)10-3-5-11(6-4-10)13-15-7-12(14)8-16-13;1-10(2)11-4-6-12(7-5-11)13-14-8-3-9-15-13;1-10(2)11-3-5-12(6-4-11)13-9-14-7-8-15-13;1-10(2)11-4-3-5-12(8-11)13-6-7-14-9-13;1-10(2)11-5-3-6-12(9-11)13-7-4-8-14-13;1-10(2)11-4-3-5-12(8-11)13-6-7-14-9-13;1-9(2)10-3-5-11(6-4-10)12-13-7-8-14-12;1-8(2)9-5-4-6-10(7-9)11(13)12-3;1-7(2)8-4-3-5-9(6-8)10(11,12)13;1-8(2)10-6-4-9(3)5-7-10;2*1-7(2)8-4-3-5-9(10)6-8;1-8(2)9-6-4-3-5-7-9/h3-12H,1-2H3;3*4-10H,1-3H3;3-11H,1-2H3;3-9H,1-2H3;2*3-10H,1-2H3;3*3-10H,1-2H3;3-9H,1-2H3;4-8H,1-3H3,(H,12,13);3-7H,1-2H3;4-8H,1-3H3;2*3-7H,1-2H3;3-8H,1-2H3
InChIKeyJUIUTKXUXSQISO-UHFFFAOYSA-N
MW3350.15 g/mol
LogP64.44
Rot. Bonds31

About 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

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 (PubChem CID 159026590) has the molecular formula C219H249ClF5N15O2S3 and a molecular weight of 3350.15 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID159026590
Molecular FormulaC219H249ClF5N15O2S3
Molecular Weight3350.15 g/mol
Exact Mass3346.86
IUPAC Name1-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
SMILESCC(C)c1ccc(-c2ccccc2)cc1.CC(C)c1ccc(-c2ccccn2)cc1.CC(C)c1ccc(-c2cnccn2)cc1.CC(C)c1ccc(-c2ncc(F)cn2)cc1.CC(C)c1ccc(-c2ncccn2)cc1.CC(C)c1ccc(-c2nccs2)cc1.CC(C)c1cccc(-c2cccs2)c1.CC(C)c1cccc(-c2ccoc2)c1.CC(C)c1cccc(-c2ccsc2)c1.CC(C)c1cccc(C(F)(F)F)c1.CC(C)c1cccc(Cl)c1.CC(C)c1cccc(F)c1.CC(C)c1ccccc1.CNC(=O)c1cccc(C(C)C)c1.Cc1ccc(C(C)C)cc1.Cc1cnc(-c2ccc(C(C)C)cc2)nc1.Cc1cnc(-c2ccc(C(C)C)cc2)nc1.Cc1ncc(-c2ccc(C(C)C)cc2)cn1
InChIInChI=1S/C15H16.3C14H16N2.C14H15N.C13H13FN2.2C13H14N2.C13H14O.2C13H14S.C12H13NS.C11H15NO.C10H11F3.C10H14.C9H11Cl.C9H11F.C9H12/c1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14;1-10(2)12-4-6-13(7-5-12)14-8-15-11(3)16-9-14;2*1-10(2)12-4-6-13(7-5-12)14-15-8-11(3)9-16-14;1-11(2)12-6-8-13(9-7-12)14-5-3-4-10-15-14;1-9(2)10-3-5-11(6-4-10)13-15-7-12(14)8-16-13;1-10(2)11-4-6-12(7-5-11)13-14-8-3-9-15-13;1-10(2)11-3-5-12(6-4-11)13-9-14-7-8-15-13;1-10(2)11-4-3-5-12(8-11)13-6-7-14-9-13;1-10(2)11-5-3-6-12(9-11)13-7-4-8-14-13;1-10(2)11-4-3-5-12(8-11)13-6-7-14-9-13;1-9(2)10-3-5-11(6-4-10)12-13-7-8-14-12;1-8(2)9-5-4-6-10(7-9)11(13)12-3;1-7(2)8-4-3-5-9(6-8)10(11,12)13;1-8(2)10-6-4-9(3)5-7-10;2*1-7(2)8-4-3-5-9(10)6-8;1-8(2)9-6-4-3-5-7-9/h3-12H,1-2H3;3*4-10H,1-3H3;3-11H,1-2H3;3-9H,1-2H3;2*3-10H,1-2H3;3*3-10H,1-2H3;3-9H,1-2H3;4-8H,1-3H3,(H,12,13);3-7H,1-2H3;4-8H,1-3H3;2*3-7H,1-2H3;3-8H,1-2H3
InChIKeyJUIUTKXUXSQISO-UHFFFAOYSA-N
XLogP64.44
TPSA222.70 Ų
H-Bond Donors1
H-Bond Acceptors19
Rotatable Bonds31
Heavy Atoms245
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003350.15
LogP ≤ 564.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1019

Analyze 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 with MolForge

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Related Compounds

(5Z)-5-[[2-[[4-[[4-fluoro-2-(furan-2-yl)phenyl]methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[4-[1-(6-thiophen-3-yl-2-pyridinyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[4-[(6-thiophen-2-yl-2-pyridinyl)methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[4-[[6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione
CID 157512391
CID 157560444
CID 157560444
4-chloro-2-fluoro-1-propan-2-ylbenzene;cumene;2,4-dichloro-1-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-fluoro-1-propan-2-yl-4-(trifluoromethyl)benzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1H-pyrrole;2-methyl-5-propan-2-ylthiophene;2-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine
CID 157968634
5-[3-chloro-5-(2-methyloxolan-3-yl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(furan-2-yl)-5-methylanilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-methyl-5-(1,3-thiazol-5-yl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-methyl-5-(thiolan-3-yl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(3-piperidin-1-ylanilino)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-piperidin-1-yl-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-thiophen-2-yl-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide
CID 158064887
5-[3-chloro-5-(2-methyloxolan-3-yl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(furan-2-yl)-5-methylanilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-[4-(2-hydroxyethyl)piperazin-1-yl]anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-methyl-5-(1,3-thiazol-5-yl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-methyl-5-(thiolan-3-yl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(3-piperazin-1-ylanilino)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-piperazin-1-yl-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-thiophen-2-yl-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide
CID 158606358
6-[2-Chloro-4-(furan-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 158638273
6-[6-(1-acetylpiperidin-2-yl)-2-methyl-3-pyridinyl]-2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;2-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)anilino]-6-[2-fluoro-4-(furan-3-yl)phenyl]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;2-(3-chloro-4-piperazin-1-ylanilino)-6-(2-cyclopropyl-4-methylpyrimidin-5-yl)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-[5-methyl-2-(1-methylsulfanylpiperidin-4-yl)pyrimidin-4-yl]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;dihydrate
CID 159121526
but-1-ene;2-tert-butyl-6-methylpyridine;1-chloro-2-methylbenzene;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;2-chloro-6-methylpyridine;5-chloro-2-methylpyridine;2-cyclopropyl-6-methylpyridine;N,3-dimethylbenzamide;N,6-dimethylpyridine-2-carboxamide;2-ethoxy-6-methylpyridine;2-fluoro-6-methylpyridine;5-fluoro-2-methylpyridine;2-(3-fluorooxetan-3-yl)-6-methylpyridine;2-methoxy-6-methylpyridine;3-methylbenzamide;2-methyl-6-propan-2-yloxypyridine;2-methylpyrazine;2-methylpyridine;6-methylpyridine-2-carboxamide;1-(6-methyl-2-pyridinyl)cyclobutan-1-ol;1-(6-methyl-2-pyridinyl)pyrrolidin-2-one;2-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene;2-methyl-6-(trifluoromethyl)pyridine;toluene;1,1,1-trifluoro-2-(6-methyl-2-pyridinyl)propan-2-ol;N,N,6-trimethylpyridine-2-carboxamide
CID 159183740
4-chloro-2-fluoro-1-propan-2-ylbenzene;cumene;2,4-dichloro-1-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1H-pyrrole;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-1-propan-2-yl-4-(trifluoromethyl)benzene;methane;1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1H-pyrrole;2-methyl-5-propan-2-ylthiophene;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-yl-3H-pyrrole;2-propan-2-ylthiophene;bis(1-propan-2-yl-4-(trifluoromethyl)benzene)
CID 159418048
5-[3-chloro-5-(2-methyloxolan-3-yl)anilino]-N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-(furan-2-yl)-5-methylanilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-[4-(2-hydroxyethyl)piperazin-1-yl]anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-methyl-5-(1,3-thiazol-5-yl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-methyl-5-(thiolan-3-yl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(3-piperidin-1-ylanilino)pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-piperidin-1-yl-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-[3-thiophen-2-yl-5-(trifluoromethyl)anilino]pyridine-2-carbohydrazide
CID 159782615
6-[2-Chloro-4-(1-methylpiperidin-2-yl)phenyl]-8-(1,3-thiazol-2-ylmethyl)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-2-(1-methylpiperidin-4-yl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[5-methyl-2-(1-methylpiperidin-3-yl)-1,3-thiazol-4-yl]-2-(4-piperidin-4-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one
CID 159867867
CID 160046775
CID 160046775

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)c1ccc(-c2ccccc2)cc1.CC(C)c1ccc(-c2ccccn2)cc1.CC(C)c1ccc(-c2cnccn2)cc1.CC(C)c1ccc(-c2ncc(F)cn2)cc1.CC(C)c1ccc(-c2ncccn2)cc1.CC(C)c1ccc(-c2nccs2)cc1.CC(C)c1cccc(-c2cccs2)c1.CC(C)c1cccc(-c2ccoc2)c1.CC(C)c1cccc(-c2ccsc2)c1.CC(C)c1cccc(C(F)(F)F)c1.CC(C)c1cccc(Cl)c1.CC(C)c1cccc(F)c1.CC(C)c1ccccc1.CNC(=O)c1cccc(C(C)C)c1.Cc1ccc(C(C)C)cc1.Cc1cnc(-c2ccc(C(C)C)cc2)nc1.Cc1cnc(-c2ccc(C(C)C)cc2)nc1.Cc1ncc(-c2ccc(C(C)C)cc2)cn1.
What is the InChIKey of 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?
The InChIKey is JUIUTKXUXSQISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16.3C14H16N2.C14H15N.C13H13FN2.2C13H14N2.C13H14O.2C13H14S.C12H13NS.C11H15NO.C10H11F3.C10H14.C9H11Cl.C9H11F.C9H12/c1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14;1-10(2)12-4-6-13(7-5-12)14-8-15-11(3)16-9-14;2*1-10(2)12-4-6-13(7-5-12)14-15-8-11(3)9-16-14;1-11(2)12-6-8-13(9-7-12)14-5-3-4-10-15-14;1-9(2)10-3-5-11(6-4-10)13-15-7-12(14)8-16-13;1-10(2)11-4-6-12(7-5-11)13-14-8-3-9-15-13;1-10(2)11-3-5-12(6-4-11)13-9-14-7-8-15-13;1-10(2)11-4-3-5-12(8-11)13-6-7-14-9-13;1-10(2)11-5-3-6-12(9-11)13-7-4-8-14-13;1-10(2)11-4-3-5-12(8-11)13-6-7-14-9-13;1-9(2)10-3-5-11(6-4-10)12-13-7-8-14-12;1-8(2)9-5-4-6-10(7-9)11(13)12-3;1-7(2)8-4-3-5-9(6-8)10(11,12)13;1-8(2)10-6-4-9(3)5-7-10;2*1-7(2)8-4-3-5-9(10)6-8;1-8(2)9-6-4-3-5-7-9/h3-12H,1-2H3;3*4-10H,1-3H3;3-11H,1-2H3;3-9H,1-2H3;2*3-10H,1-2H3;3*3-10H,1-2H3;3-9H,1-2H3;4-8H,1-3H3,(H,12,13);3-7H,1-2H3;4-8H,1-3H3;2*3-7H,1-2H3;3-8H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 3350.15 g/mol, XLogP of 64.44, 31 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159026590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).