2-benzyl-4-propan-2-ylpyridine;2-[(2-chlorophenyl)methyl]-5-propan-2-ylpyridine;N,N-dimethyl-4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzenesulfonamide;2-[(2-methoxyphenyl)methyl]-4-propan-2-ylpyridine;N-methyl-4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzamide;2-methyl-3-phenyl-5-propan-2-ylpyridine;3-(3-methyl-4-propan-2-yl-2-pyridinyl)benzoic acid;1-[3-(2-methyl-5-propan-2-yl-3-pyridinyl)phenyl]ethenamine;[4-(2-methyl-5-propan-2-yl-3-pyridinyl)phenyl]methanol;4-propan-2-yl-6-(trifluoromethyl)pyrimidine

C152H176ClF3N14O7S — CID 161467275

IUPAC2-benzyl-4-propan-2-ylpyridine;2-[(2-chlorophenyl)methyl]-5-propan-2-ylpyridine;N,N-dimethyl-4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzenesulfonamide;2-[(2-methoxyphenyl)methyl]-4-propan-2-ylpyridine;N-methyl-4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzamide;2-methyl-3-phenyl-5-propan-2-ylpyridine;3-(3-methyl-4-propan-2-yl-2-pyridinyl)benzoic acid;1-[3-(2-methyl-5-propan-2-yl-3-pyridinyl)phenyl]ethenamine;[4-(2-methyl-5-propan-2-yl-3-pyridinyl)phenyl]methanol;4-propan-2-yl-6-(trifluoromethyl)pyrimidine
SMILESC=C(N)c1cccc(-c2cc(C(C)C)cnc2C)c1.CC(C)c1cc(C(F)(F)F)ncn1.CC(C)c1ccc(Cc2ccccc2Cl)nc1.CC(C)c1ccnc(Cc2ccccc2)c1.CNC(=O)c1ccc(-c2cc(C(C)C)cnc2C)cc1.COc1ccccc1Cc1cc(C(C)C)ccn1.Cc1c(C(C)C)ccnc1-c1cccc(C(=O)O)c1.Cc1ncc(C(C)C)cc1-c1ccc(CO)cc1.Cc1ncc(C(C)C)cc1-c1ccc(S(=O)(=O)N(C)C)cc1.Cc1ncc(C(C)C)cc1-c1ccccc1
InChIInChI=1S/C17H22N2O2S.C17H20N2O.C17H20N2.C16H17NO2.2C16H19NO.C15H16ClN.2C15H17N.C8H9F3N2/c1-12(2)15-10-17(13(3)18-11-15)14-6-8-16(9-7-14)22(20,21)19(4)5;1-11(2)15-9-16(12(3)19-10-15)13-5-7-14(8-6-13)17(20)18-4;1-11(2)16-9-17(13(4)19-10-16)15-7-5-6-14(8-15)12(3)18;1-10(2)14-7-8-17-15(11(14)3)12-5-4-6-13(9-12)16(18)19;1-11(2)15-8-16(12(3)17-9-15)14-6-4-13(10-18)5-7-14;1-12(2)13-8-9-17-15(10-13)11-14-6-4-5-7-16(14)18-3;1-11(2)13-7-8-14(17-10-13)9-12-5-3-4-6-15(12)16;1-11(2)14-9-15(12(3)16-10-14)13-7-5-4-6-8-13;1-12(2)14-8-9-16-15(11-14)10-13-6-4-3-5-7-13;1-5(2)6-3-7(8(9,10)11)13-4-12-6/h6-12H,1-5H3;5-11H,1-4H3,(H,18,20);5-11H,3,18H2,1-2,4H3;4-10H,1-3H3,(H,18,19);4-9,11,18H,10H2,1-3H3;4-10,12H,11H2,1-3H3;3-8,10-11H,9H2,1-2H3;4-11H,1-3H3;3-9,11-12H,10H2,1-2H3;3-5H,1-2H3
InChIKeyWCPIYGKUXOGEEG-UHFFFAOYSA-N
MW2435.68 g/mol
LogP37.48
Rot. Bonds29

About 2-benzyl-4-propan-2-ylpyridine;2-[(2-chlorophenyl)methyl]-5-propan-2-ylpyridine;N,N-dimethyl-4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzenesulfonamide;2-[(2-methoxyphenyl)methyl]-4-propan-2-ylpyridine;N-methyl-4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzamide;2-methyl-3-phenyl-5-propan-2-ylpyridine;3-(3-methyl-4-propan-2-yl-2-pyridinyl)benzoic acid;1-[3-(2-methyl-5-propan-2-yl-3-pyridinyl)phenyl]ethenamine;[4-(2-methyl-5-propan-2-yl-3-pyridinyl)phenyl]methanol;4-propan-2-yl-6-(trifluoromethyl)pyrimidine

2-benzyl-4-propan-2-ylpyridine;2-[(2-chlorophenyl)methyl]-5-propan-2-ylpyridine;N,N-dimethyl-4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzenesulfonamide;2-[(2-methoxyphenyl)methyl]-4-propan-2-ylpyridine;N-methyl-4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzamide;2-methyl-3-phenyl-5-propan-2-ylpyridine;3-(3-methyl-4-propan-2-yl-2-pyridinyl)benzoic acid;1-[3-(2-methyl-5-propan-2-yl-3-pyridinyl)phenyl]ethenamine;[4-(2-methyl-5-propan-2-yl-3-pyridinyl)phenyl]methanol;4-propan-2-yl-6-(trifluoromethyl)pyrimidine (PubChem CID 161467275) has the molecular formula C152H176ClF3N14O7S and a molecular weight of 2435.68 g/mol. Its IUPAC name is 2-benzyl-4-propan-2-ylpyridine;2-[(2-chlorophenyl)methyl]-5-propan-2-ylpyridine;N,N-dimethyl-4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzenesulfonamide;2-[(2-methoxyphenyl)methyl]-4-propan-2-ylpyridine;N-methyl-4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzamide;2-methyl-3-phenyl-5-propan-2-ylpyridine;3-(3-methyl-4-propan-2-yl-2-pyridinyl)benzoic acid;1-[3-(2-methyl-5-propan-2-yl-3-pyridinyl)phenyl]ethenamine;[4-(2-methyl-5-propan-2-yl-3-pyridinyl)phenyl]methanol;4-propan-2-yl-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-benzyl-4-propan-2-ylpyridine;2-[(2-chlorophenyl)methyl]-5-propan-2-ylpyridine;N,N-dimethyl-4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzenesulfonamide;2-[(2-methoxyphenyl)methyl]-4-propan-2-ylpyridine;N-methyl-4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzamide;2-methyl-3-phenyl-5-propan-2-ylpyridine;3-(3-methyl-4-propan-2-yl-2-pyridinyl)benzoic acid;1-[3-(2-methyl-5-propan-2-yl-3-pyridinyl)phenyl]ethenamine;[4-(2-methyl-5-propan-2-yl-3-pyridinyl)phenyl]methanol;4-propan-2-yl-6-(trifluoromethyl)pyrimidine
PubChem CID161467275
Molecular FormulaC152H176ClF3N14O7S
Molecular Weight2435.68 g/mol
Exact Mass2433.32
IUPAC Name2-benzyl-4-propan-2-ylpyridine;2-[(2-chlorophenyl)methyl]-5-propan-2-ylpyridine;N,N-dimethyl-4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzenesulfonamide;2-[(2-methoxyphenyl)methyl]-4-propan-2-ylpyridine;N-methyl-4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzamide;2-methyl-3-phenyl-5-propan-2-ylpyridine;3-(3-methyl-4-propan-2-yl-2-pyridinyl)benzoic acid;1-[3-(2-methyl-5-propan-2-yl-3-pyridinyl)phenyl]ethenamine;[4-(2-methyl-5-propan-2-yl-3-pyridinyl)phenyl]methanol;4-propan-2-yl-6-(trifluoromethyl)pyrimidine
SMILESC=C(N)c1cccc(-c2cc(C(C)C)cnc2C)c1.CC(C)c1cc(C(F)(F)F)ncn1.CC(C)c1ccc(Cc2ccccc2Cl)nc1.CC(C)c1ccnc(Cc2ccccc2)c1.CNC(=O)c1ccc(-c2cc(C(C)C)cnc2C)cc1.COc1ccccc1Cc1cc(C(C)C)ccn1.Cc1c(C(C)C)ccnc1-c1cccc(C(=O)O)c1.Cc1ncc(C(C)C)cc1-c1ccc(CO)cc1.Cc1ncc(C(C)C)cc1-c1ccc(S(=O)(=O)N(C)C)cc1.Cc1ncc(C(C)C)cc1-c1ccccc1
InChIInChI=1S/C17H22N2O2S.C17H20N2O.C17H20N2.C16H17NO2.2C16H19NO.C15H16ClN.2C15H17N.C8H9F3N2/c1-12(2)15-10-17(13(3)18-11-15)14-6-8-16(9-7-14)22(20,21)19(4)5;1-11(2)15-9-16(12(3)19-10-15)13-5-7-14(8-6-13)17(20)18-4;1-11(2)16-9-17(13(4)19-10-16)15-7-5-6-14(8-15)12(3)18;1-10(2)14-7-8-17-15(11(14)3)12-5-4-6-13(9-12)16(18)19;1-11(2)15-8-16(12(3)17-9-15)14-6-4-13(10-18)5-7-14;1-12(2)13-8-9-17-15(10-13)11-14-6-4-5-7-16(14)18-3;1-11(2)13-7-8-14(17-10-13)9-12-5-3-4-6-15(12)16;1-11(2)14-9-15(12(3)16-10-14)13-7-5-4-6-8-13;1-12(2)14-8-9-16-15(11-14)10-13-6-4-3-5-7-13;1-5(2)6-3-7(8(9,10)11)13-4-12-6/h6-12H,1-5H3;5-11H,1-4H3,(H,18,20);5-11H,3,18H2,1-2,4H3;4-10H,1-3H3,(H,18,19);4-9,11,18H,10H2,1-3H3;4-10,12H,11H2,1-3H3;3-8,10-11H,9H2,1-2H3;4-11H,1-3H3;3-9,11-12H,10H2,1-2H3;3-5H,1-2H3
InChIKeyWCPIYGKUXOGEEG-UHFFFAOYSA-N
XLogP37.48
TPSA301.05 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds29
Heavy Atoms178
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002435.68
LogP ≤ 537.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

Analyze 2-benzyl-4-propan-2-ylpyridine;2-[(2-chlorophenyl)methyl]-5-propan-2-ylpyridine;N,N-dimethyl-4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzenesulfonamide;2-[(2-methoxyphenyl)methyl]-4-propan-2-ylpyridine;N-methyl-4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzamide;2-methyl-3-phenyl-5-propan-2-ylpyridine;3-(3-methyl-4-propan-2-yl-2-pyridinyl)benzoic acid;1-[3-(2-methyl-5-propan-2-yl-3-pyridinyl)phenyl]ethenamine;[4-(2-methyl-5-propan-2-yl-3-pyridinyl)phenyl]methanol;4-propan-2-yl-6-(trifluoromethyl)pyrimidine with MolForge

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Launch Full Analysis

Related Compounds

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;4-(2-methylpropyl)benzamide;4-(2-methylpropyl)benzenesulfonic acid;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;4-(2-methylpropyl)pyrimidine;1-(2-methylpropyl)-4-(trifluoromethoxy)benzene
CID 157740198
CID 158648310
CID 158648310
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
2-benzyl-4-propan-2-ylpyridine;2-[(2-chlorophenyl)methyl]-5-propan-2-ylpyridine;N,N-dimethyl-4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzenesulfonamide;2-[(2-methoxyphenyl)methyl]-4-propan-2-ylpyridine;N-methyl-4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzamide;2-methyl-3-phenyl-5-propan-2-ylpyridine;3-(2-methyl-5-propan-2-yl-3-pyridinyl)benzamide;[4-(2-methyl-5-propan-2-yl-3-pyridinyl)phenyl]methanol;2-propan-2-yl-5,6-dihydrofuro[2,3-h]quinazoline;4-propan-2-yl-2-(trifluoromethyl)pyridine
CID 160112742
4-[2-[[2-amino-6-(cyclohepten-1-yl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-2-(trifluoromethyl)benzenesulfonamide;4-[2-[[2-amino-6-(3-hydroxyphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;tert-butyl 4-[2-amino-6-[3-(4-sulfamoylphenyl)propyl]pyrimidin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;4-(2,3-dichlorophenyl)-6-[(2-methylcyclopropyl)methyl]pyrimidin-2-amine;methyl 6-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]pyridine-3-carboxylate
CID 160254601
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-[2-[[2-amino-6-(cyclohepten-1-yl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-2-(trifluoromethyl)benzenesulfonamide;4-[2-[[2-amino-6-(3-hydroxyphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;tert-butyl 4-[2-amino-6-[3-(4-sulfamoylphenyl)propyl]pyrimidin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;4-(2,3-dichlorophenyl)-6-[(2-methylcyclopropyl)methyl]pyrimidin-2-amine;ethyl 6-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]pyridine-3-carboxylate
CID 160842566
2-benzyl-4-propan-2-ylpyridine;2-[(2-chlorophenyl)methyl]-5-propan-2-ylpyridine;N,N-dimethyl-4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzenesulfonamide;2-[(2-methoxyphenyl)methyl]-4-propan-2-ylpyridine;2-[(2-methoxyphenyl)methyl]-5-propan-2-ylpyridine;N-methyl-4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzamide;N-methyl-4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzenesulfonamide;2-methyl-3-phenyl-5-propan-2-ylpyridine;3-(2-methyl-5-propan-2-yl-3-pyridinyl)benzamide;[4-(2-methyl-5-propan-2-yl-3-pyridinyl)phenyl]methanol;4-propan-2-yl-2-(trifluoromethyl)pyridine
CID 160905229
6-[2-[[2-Amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]ethoxy]pyridine-3-carboxamide;4-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]benzamide;2-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]pyridine-4-carboxamide;4-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-2-(trifluoromethyl)benzenesulfonamide;4-[2-[[2-amino-6-(3-hydroxyphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;ethyl 6-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]pyridine-3-carboxylate
CID 161591381
2-benzyl-4-propan-2-ylpyridine;2-[(2-chlorophenyl)methyl]-5-propan-2-ylpyridine;N,N-dimethyl-4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzenesulfonamide;2-[(2-methoxyphenyl)methyl]-4-propan-2-ylpyridine;2-[(2-methoxyphenyl)methyl]-5-propan-2-ylpyridine;N-methyl-4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzamide;N-methyl-4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzenesulfonamide;2-methyl-3-phenyl-5-propan-2-ylpyridine;1-[3-(2-methyl-5-propan-2-yl-3-pyridinyl)phenyl]ethenamine;[4-(2-methyl-5-propan-2-yl-3-pyridinyl)phenyl]methanol
CID 157781835
4-[2-[[2-amino-6-(cyclohepten-1-yl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[2-[[2-amino-6-(3-hydroxyphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;tert-butyl 4-[2-amino-6-[3-(4-sulfamoylphenyl)propyl]pyrimidin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;4-(2,3-dichlorophenyl)-6-[(2-methylcyclopropyl)methyl]pyrimidin-2-amine;ethyl 6-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]pyridine-3-carboxylate
CID 158332322
2-benzyl-5-propan-2-ylpyridine;2-[(2-chlorophenyl)methyl]-6-propan-2-ylpyrazine;2-[(2-chlorophenyl)methyl]-5-propan-2-ylpyrimidine;2-(2,3-dimethylphenoxy)-5-propan-2-ylpyridine;2-isocyano-5-propan-2-ylpyridine;2-[(2-methoxyphenyl)methyl]-5-propan-2-ylpyrimidine;N-(2-methoxyphenyl)-5-propan-2-ylpyrazin-2-amine;2-(2-methoxyphenyl)-5-propan-2-ylpyridine;N-methyl-4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzenesulfonamide;3-(2-methyl-5-propan-2-yl-3-pyridinyl)benzoic acid;2-phenyl-5-propan-2-ylpyridine
CID 159161265

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-propan-2-ylpyridine;2-[(2-chlorophenyl)methyl]-5-propan-2-ylpyridine;N,N-dimethyl-4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzenesulfonamide;2-[(2-methoxyphenyl)methyl]-4-propan-2-ylpyridine;N-methyl-4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzamide;2-methyl-3-phenyl-5-propan-2-ylpyridine;3-(3-methyl-4-propan-2-yl-2-pyridinyl)benzoic acid;1-[3-(2-methyl-5-propan-2-yl-3-pyridinyl)phenyl]ethenamine;[4-(2-methyl-5-propan-2-yl-3-pyridinyl)phenyl]methanol;4-propan-2-yl-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-benzyl-4-propan-2-ylpyridine;2-[(2-chlorophenyl)methyl]-5-propan-2-ylpyridine;N,N-dimethyl-4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzenesulfonamide;2-[(2-methoxyphenyl)methyl]-4-propan-2-ylpyridine;N-methyl-4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzamide;2-methyl-3-phenyl-5-propan-2-ylpyridine;3-(3-methyl-4-propan-2-yl-2-pyridinyl)benzoic acid;1-[3-(2-methyl-5-propan-2-yl-3-pyridinyl)phenyl]ethenamine;[4-(2-methyl-5-propan-2-yl-3-pyridinyl)phenyl]methanol;4-propan-2-yl-6-(trifluoromethyl)pyrimidine (CID 161467275) is 2-benzyl-4-propan-2-ylpyridine;2-[(2-chlorophenyl)methyl]-5-propan-2-ylpyridine;N,N-dimethyl-4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzenesulfonamide;2-[(2-methoxyphenyl)methyl]-4-propan-2-ylpyridine;N-methyl-4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzamide;2-methyl-3-phenyl-5-propan-2-ylpyridine;3-(3-methyl-4-propan-2-yl-2-pyridinyl)benzoic acid;1-[3-(2-methyl-5-propan-2-yl-3-pyridinyl)phenyl]ethenamine;[4-(2-methyl-5-propan-2-yl-3-pyridinyl)phenyl]methanol;4-propan-2-yl-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-benzyl-4-propan-2-ylpyridine;2-[(2-chlorophenyl)methyl]-5-propan-2-ylpyridine;N,N-dimethyl-4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzenesulfonamide;2-[(2-methoxyphenyl)methyl]-4-propan-2-ylpyridine;N-methyl-4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzamide;2-methyl-3-phenyl-5-propan-2-ylpyridine;3-(3-methyl-4-propan-2-yl-2-pyridinyl)benzoic acid;1-[3-(2-methyl-5-propan-2-yl-3-pyridinyl)phenyl]ethenamine;[4-(2-methyl-5-propan-2-yl-3-pyridinyl)phenyl]methanol;4-propan-2-yl-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-benzyl-4-propan-2-ylpyridine;2-[(2-chlorophenyl)methyl]-5-propan-2-ylpyridine;N,N-dimethyl-4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzenesulfonamide;2-[(2-methoxyphenyl)methyl]-4-propan-2-ylpyridine;N-methyl-4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzamide;2-methyl-3-phenyl-5-propan-2-ylpyridine;3-(3-methyl-4-propan-2-yl-2-pyridinyl)benzoic acid;1-[3-(2-methyl-5-propan-2-yl-3-pyridinyl)phenyl]ethenamine;[4-(2-methyl-5-propan-2-yl-3-pyridinyl)phenyl]methanol;4-propan-2-yl-6-(trifluoromethyl)pyrimidine is C=C(N)c1cccc(-c2cc(C(C)C)cnc2C)c1.CC(C)c1cc(C(F)(F)F)ncn1.CC(C)c1ccc(Cc2ccccc2Cl)nc1.CC(C)c1ccnc(Cc2ccccc2)c1.CNC(=O)c1ccc(-c2cc(C(C)C)cnc2C)cc1.COc1ccccc1Cc1cc(C(C)C)ccn1.Cc1c(C(C)C)ccnc1-c1cccc(C(=O)O)c1.Cc1ncc(C(C)C)cc1-c1ccc(CO)cc1.Cc1ncc(C(C)C)cc1-c1ccc(S(=O)(=O)N(C)C)cc1.Cc1ncc(C(C)C)cc1-c1ccccc1.
What is the InChIKey of 2-benzyl-4-propan-2-ylpyridine;2-[(2-chlorophenyl)methyl]-5-propan-2-ylpyridine;N,N-dimethyl-4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzenesulfonamide;2-[(2-methoxyphenyl)methyl]-4-propan-2-ylpyridine;N-methyl-4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzamide;2-methyl-3-phenyl-5-propan-2-ylpyridine;3-(3-methyl-4-propan-2-yl-2-pyridinyl)benzoic acid;1-[3-(2-methyl-5-propan-2-yl-3-pyridinyl)phenyl]ethenamine;[4-(2-methyl-5-propan-2-yl-3-pyridinyl)phenyl]methanol;4-propan-2-yl-6-(trifluoromethyl)pyrimidine?
The InChIKey is WCPIYGKUXOGEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S.C17H20N2O.C17H20N2.C16H17NO2.2C16H19NO.C15H16ClN.2C15H17N.C8H9F3N2/c1-12(2)15-10-17(13(3)18-11-15)14-6-8-16(9-7-14)22(20,21)19(4)5;1-11(2)15-9-16(12(3)19-10-15)13-5-7-14(8-6-13)17(20)18-4;1-11(2)16-9-17(13(4)19-10-16)15-7-5-6-14(8-15)12(3)18;1-10(2)14-7-8-17-15(11(14)3)12-5-4-6-13(9-12)16(18)19;1-11(2)15-8-16(12(3)17-9-15)14-6-4-13(10-18)5-7-14;1-12(2)13-8-9-17-15(10-13)11-14-6-4-5-7-16(14)18-3;1-11(2)13-7-8-14(17-10-13)9-12-5-3-4-6-15(12)16;1-11(2)14-9-15(12(3)16-10-14)13-7-5-4-6-8-13;1-12(2)14-8-9-16-15(11-14)10-13-6-4-3-5-7-13;1-5(2)6-3-7(8(9,10)11)13-4-12-6/h6-12H,1-5H3;5-11H,1-4H3,(H,18,20);5-11H,3,18H2,1-2,4H3;4-10H,1-3H3,(H,18,19);4-9,11,18H,10H2,1-3H3;4-10,12H,11H2,1-3H3;3-8,10-11H,9H2,1-2H3;4-11H,1-3H3;3-9,11-12H,10H2,1-2H3;3-5H,1-2H3.
What are the key properties of 2-benzyl-4-propan-2-ylpyridine;2-[(2-chlorophenyl)methyl]-5-propan-2-ylpyridine;N,N-dimethyl-4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzenesulfonamide;2-[(2-methoxyphenyl)methyl]-4-propan-2-ylpyridine;N-methyl-4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzamide;2-methyl-3-phenyl-5-propan-2-ylpyridine;3-(3-methyl-4-propan-2-yl-2-pyridinyl)benzoic acid;1-[3-(2-methyl-5-propan-2-yl-3-pyridinyl)phenyl]ethenamine;[4-(2-methyl-5-propan-2-yl-3-pyridinyl)phenyl]methanol;4-propan-2-yl-6-(trifluoromethyl)pyrimidine?
2-benzyl-4-propan-2-ylpyridine;2-[(2-chlorophenyl)methyl]-5-propan-2-ylpyridine;N,N-dimethyl-4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzenesulfonamide;2-[(2-methoxyphenyl)methyl]-4-propan-2-ylpyridine;N-methyl-4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzamide;2-methyl-3-phenyl-5-propan-2-ylpyridine;3-(3-methyl-4-propan-2-yl-2-pyridinyl)benzoic acid;1-[3-(2-methyl-5-propan-2-yl-3-pyridinyl)phenyl]ethenamine;[4-(2-methyl-5-propan-2-yl-3-pyridinyl)phenyl]methanol;4-propan-2-yl-6-(trifluoromethyl)pyrimidine has a molecular weight of 2435.68 g/mol, XLogP of 37.48, 29 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-propan-2-ylpyridine;2-[(2-chlorophenyl)methyl]-5-propan-2-ylpyridine;N,N-dimethyl-4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzenesulfonamide;2-[(2-methoxyphenyl)methyl]-4-propan-2-ylpyridine;N-methyl-4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzamide;2-methyl-3-phenyl-5-propan-2-ylpyridine;3-(3-methyl-4-propan-2-yl-2-pyridinyl)benzoic acid;1-[3-(2-methyl-5-propan-2-yl-3-pyridinyl)phenyl]ethenamine;[4-(2-methyl-5-propan-2-yl-3-pyridinyl)phenyl]methanol;4-propan-2-yl-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 161467275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).