2-chloro-1-methoxy-4-methylbenzene;6-chloro-7-methylisoquinolin-1-amine;5-chloro-2-methylpyridine;5-chloro-2-methylpyrimidine;2-chloro-5-methylthiophene;2-chloro-4-methyl-1-(trifluoromethyl)benzene;2,5-dimethylpyridine;2,5-dimethylpyrimidine;6-fluoro-7-methylisoquinolin-1-amine;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;4-methoxy-1-methyl-2-methylsulfonylbenzene;5-methoxy-2-methylpyridine;5-methoxy-2-methylpyrimidine;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;methyl 6-methylpyridine-3-carboxylate;1-methyl-2-methylsulfonylbenzene;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;2-methylpyridine;6-methylpyridine-3-carbonitrile;2-methylpyrimidine;bis(7-methylquinazolin-4-amine);1-methyl-3-(trifluoromethyl)benzene;2-methyl-5-(trifluoromethyl)pyridine

C230H243Cl6F12N47O12S3 — CID 158443913

IUPAC2-chloro-1-methoxy-4-methylbenzene;6-chloro-7-methylisoquinolin-1-amine;5-chloro-2-methylpyridine;5-chloro-2-methylpyrimidine;2-chloro-5-methylthiophene;2-chloro-4-methyl-1-(trifluoromethyl)benzene;2,5-dimethylpyridine;2,5-dimethylpyrimidine;6-fluoro-7-methylisoquinolin-1-amine;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;4-methoxy-1-methyl-2-methylsulfonylbenzene;5-methoxy-2-methylpyridine;5-methoxy-2-methylpyrimidine;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;methyl 6-methylpyridine-3-carboxylate;1-methyl-2-methylsulfonylbenzene;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;2-methylpyridine;6-methylpyridine-3-carbonitrile;2-methylpyrimidine;bis(7-methylquinazolin-4-amine);1-methyl-3-(trifluoromethyl)benzene;2-methyl-5-(trifluoromethyl)pyridine
SMILESCOC(=O)c1ccc(C)nc1.COc1ccc(C)c(S(C)(=O)=O)c1.COc1ccc(C)cc1Cl.COc1ccc(C)nc1.COc1cnc(C)nc1.Cc1cc2c(N)nccc2cc1Cl.Cc1cc2c(N)nccc2cc1F.Cc1ccc(C#N)cn1.Cc1ccc(C(F)(F)F)c(Cl)c1.Cc1ccc(C(F)(F)F)cn1.Cc1ccc(C)nc1.Cc1ccc(Cl)cn1.Cc1ccc(Cl)s1.Cc1ccc(F)cn1.Cc1ccc2c(N)nccc2c1.Cc1ccc2c(N)ncnc2c1.Cc1ccc2c(N)ncnc2c1.Cc1ccc2c(N)nnc(N)c2c1.Cc1ccc2c(N)nncc2c1.Cc1ccc2c(c1)C(N)=NOC2.Cc1ccc2c(c1)CON=C2N.Cc1ccc2ccnc(N)c2c1.Cc1ccc2cnnc(N)c2c1.Cc1cccc(C(F)(F)F)c1.Cc1ccccc1S(C)(=O)=O.Cc1ccccn1.Cc1cnc(C)nc1.Cc1ncc(Cl)cn1.Cc1ncc(F)cn1.Cc1ncccn1
InChIInChI=1S/C10H9ClN2.C10H9FN2.2C10H10N2.C9H10N4.4C9H9N3.2C9H10N2O.C9H12O3S.C8H6ClF3.C8H9ClO.C8H7F3.C8H9NO2.C8H10O2S.C7H6F3N.C7H6N2.C7H9NO.C7H9N.C6H6ClN.C6H6FN.C6H8N2O.C6H8N2.C6H7N.C5H5ClN2.C5H5ClS.C5H5FN2.C5H6N2/c2*1-6-4-8-7(5-9(6)11)2-3-13-10(8)12;1-7-2-3-9-8(6-7)4-5-12-10(9)11;1-7-2-3-8-4-5-12-10(11)9(8)6-7;1-5-2-3-6-7(4-5)9(11)13-12-8(6)10;1-6-2-3-8-7(4-6)5-11-12-9(8)10;2*1-6-2-3-7-8(4-6)11-5-12-9(7)10;1-6-2-3-7-5-11-12-9(10)8(7)4-6;1-6-2-3-8-7(4-6)5-12-11-9(8)10;1-6-2-3-7-5-12-11-9(10)8(7)4-6;1-7-4-5-8(12-2)6-9(7)13(3,10)11;1-5-2-3-6(7(9)4-5)8(10,11)12;1-6-3-4-8(10-2)7(9)5-6;1-6-3-2-4-7(5-6)8(9,10)11;1-6-3-4-7(5-9-6)8(10)11-2;1-7-5-3-4-6-8(7)11(2,9)10;1-5-2-3-6(4-11-5)7(8,9)10;1-6-2-3-7(4-8)5-9-6;1-6-3-4-7(9-2)5-8-6;1-6-3-4-7(2)8-5-6;2*1-5-2-3-6(7)4-8-5;1-5-7-3-6(9-2)4-8-5;1-5-3-7-6(2)8-4-5;1-6-4-2-3-5-7-6;1-4-7-2-5(6)3-8-4;1-4-2-3-5(6)7-4;1-4-7-2-5(6)3-8-4;1-5-6-3-2-4-7-5/h2*2-5H,1H3,(H2,12,13);2*2-6H,1H3,(H2,11,12);2-4H,1H3,(H2,10,12)(H2,11,13);2-5H,1H3,(H2,10,12);2*2-5H,1H3,(H2,10,11,12);2-5H,1H3,(H2,10,12);2*2-4H,5H2,1H3,(H2,10,11);4-6H,1-3H3;2-4H,1H3;3-5H,1-2H3;2-5H,1H3;3-5H,1-2H3;3-6H,1-2H3;2-4H,1H3;2-3,5H,1H3;3-5H,1-2H3;3-5H,1-2H3;2*2-4H,1H3;3-4H,1-2H3;3-4H,1-2H3;2-5H,1H3;2-3H,1H3;2-3H,1H3;2-3H,1H3;2-4H,1H3
InChIKeyHDDPCYCFYVNDIA-UHFFFAOYSA-N
MW4394.69 g/mol
LogP51.56
Rot. Bonds7

About 2-chloro-1-methoxy-4-methylbenzene;6-chloro-7-methylisoquinolin-1-amine;5-chloro-2-methylpyridine;5-chloro-2-methylpyrimidine;2-chloro-5-methylthiophene;2-chloro-4-methyl-1-(trifluoromethyl)benzene;2,5-dimethylpyridine;2,5-dimethylpyrimidine;6-fluoro-7-methylisoquinolin-1-amine;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;4-methoxy-1-methyl-2-methylsulfonylbenzene;5-methoxy-2-methylpyridine;5-methoxy-2-methylpyrimidine;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;methyl 6-methylpyridine-3-carboxylate;1-methyl-2-methylsulfonylbenzene;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;2-methylpyridine;6-methylpyridine-3-carbonitrile;2-methylpyrimidine;bis(7-methylquinazolin-4-amine);1-methyl-3-(trifluoromethyl)benzene;2-methyl-5-(trifluoromethyl)pyridine

2-chloro-1-methoxy-4-methylbenzene;6-chloro-7-methylisoquinolin-1-amine;5-chloro-2-methylpyridine;5-chloro-2-methylpyrimidine;2-chloro-5-methylthiophene;2-chloro-4-methyl-1-(trifluoromethyl)benzene;2,5-dimethylpyridine;2,5-dimethylpyrimidine;6-fluoro-7-methylisoquinolin-1-amine;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;4-methoxy-1-methyl-2-methylsulfonylbenzene;5-methoxy-2-methylpyridine;5-methoxy-2-methylpyrimidine;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;methyl 6-methylpyridine-3-carboxylate;1-methyl-2-methylsulfonylbenzene;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;2-methylpyridine;6-methylpyridine-3-carbonitrile;2-methylpyrimidine;bis(7-methylquinazolin-4-amine);1-methyl-3-(trifluoromethyl)benzene;2-methyl-5-(trifluoromethyl)pyridine (PubChem CID 158443913) has the molecular formula C230H243Cl6F12N47O12S3 and a molecular weight of 4394.69 g/mol. Its IUPAC name is 2-chloro-1-methoxy-4-methylbenzene;6-chloro-7-methylisoquinolin-1-amine;5-chloro-2-methylpyridine;5-chloro-2-methylpyrimidine;2-chloro-5-methylthiophene;2-chloro-4-methyl-1-(trifluoromethyl)benzene;2,5-dimethylpyridine;2,5-dimethylpyrimidine;6-fluoro-7-methylisoquinolin-1-amine;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;4-methoxy-1-methyl-2-methylsulfonylbenzene;5-methoxy-2-methylpyridine;5-methoxy-2-methylpyrimidine;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;methyl 6-methylpyridine-3-carboxylate;1-methyl-2-methylsulfonylbenzene;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;2-methylpyridine;6-methylpyridine-3-carbonitrile;2-methylpyrimidine;bis(7-methylquinazolin-4-amine);1-methyl-3-(trifluoromethyl)benzene;2-methyl-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-chloro-1-methoxy-4-methylbenzene;6-chloro-7-methylisoquinolin-1-amine;5-chloro-2-methylpyridine;5-chloro-2-methylpyrimidine;2-chloro-5-methylthiophene;2-chloro-4-methyl-1-(trifluoromethyl)benzene;2,5-dimethylpyridine;2,5-dimethylpyrimidine;6-fluoro-7-methylisoquinolin-1-amine;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;4-methoxy-1-methyl-2-methylsulfonylbenzene;5-methoxy-2-methylpyridine;5-methoxy-2-methylpyrimidine;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;methyl 6-methylpyridine-3-carboxylate;1-methyl-2-methylsulfonylbenzene;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;2-methylpyridine;6-methylpyridine-3-carbonitrile;2-methylpyrimidine;bis(7-methylquinazolin-4-amine);1-methyl-3-(trifluoromethyl)benzene;2-methyl-5-(trifluoromethyl)pyridine
PubChem CID158443913
Molecular FormulaC230H243Cl6F12N47O12S3
Molecular Weight4394.69 g/mol
Exact Mass4388.70
IUPAC Name2-chloro-1-methoxy-4-methylbenzene;6-chloro-7-methylisoquinolin-1-amine;5-chloro-2-methylpyridine;5-chloro-2-methylpyrimidine;2-chloro-5-methylthiophene;2-chloro-4-methyl-1-(trifluoromethyl)benzene;2,5-dimethylpyridine;2,5-dimethylpyrimidine;6-fluoro-7-methylisoquinolin-1-amine;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;4-methoxy-1-methyl-2-methylsulfonylbenzene;5-methoxy-2-methylpyridine;5-methoxy-2-methylpyrimidine;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;methyl 6-methylpyridine-3-carboxylate;1-methyl-2-methylsulfonylbenzene;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;2-methylpyridine;6-methylpyridine-3-carbonitrile;2-methylpyrimidine;bis(7-methylquinazolin-4-amine);1-methyl-3-(trifluoromethyl)benzene;2-methyl-5-(trifluoromethyl)pyridine
SMILESCOC(=O)c1ccc(C)nc1.COc1ccc(C)c(S(C)(=O)=O)c1.COc1ccc(C)cc1Cl.COc1ccc(C)nc1.COc1cnc(C)nc1.Cc1cc2c(N)nccc2cc1Cl.Cc1cc2c(N)nccc2cc1F.Cc1ccc(C#N)cn1.Cc1ccc(C(F)(F)F)c(Cl)c1.Cc1ccc(C(F)(F)F)cn1.Cc1ccc(C)nc1.Cc1ccc(Cl)cn1.Cc1ccc(Cl)s1.Cc1ccc(F)cn1.Cc1ccc2c(N)nccc2c1.Cc1ccc2c(N)ncnc2c1.Cc1ccc2c(N)ncnc2c1.Cc1ccc2c(N)nnc(N)c2c1.Cc1ccc2c(N)nncc2c1.Cc1ccc2c(c1)C(N)=NOC2.Cc1ccc2c(c1)CON=C2N.Cc1ccc2ccnc(N)c2c1.Cc1ccc2cnnc(N)c2c1.Cc1cccc(C(F)(F)F)c1.Cc1ccccc1S(C)(=O)=O.Cc1ccccn1.Cc1cnc(C)nc1.Cc1ncc(Cl)cn1.Cc1ncc(F)cn1.Cc1ncccn1
InChIInChI=1S/C10H9ClN2.C10H9FN2.2C10H10N2.C9H10N4.4C9H9N3.2C9H10N2O.C9H12O3S.C8H6ClF3.C8H9ClO.C8H7F3.C8H9NO2.C8H10O2S.C7H6F3N.C7H6N2.C7H9NO.C7H9N.C6H6ClN.C6H6FN.C6H8N2O.C6H8N2.C6H7N.C5H5ClN2.C5H5ClS.C5H5FN2.C5H6N2/c2*1-6-4-8-7(5-9(6)11)2-3-13-10(8)12;1-7-2-3-9-8(6-7)4-5-12-10(9)11;1-7-2-3-8-4-5-12-10(11)9(8)6-7;1-5-2-3-6-7(4-5)9(11)13-12-8(6)10;1-6-2-3-8-7(4-6)5-11-12-9(8)10;2*1-6-2-3-7-8(4-6)11-5-12-9(7)10;1-6-2-3-7-5-11-12-9(10)8(7)4-6;1-6-2-3-8-7(4-6)5-12-11-9(8)10;1-6-2-3-7-5-12-11-9(10)8(7)4-6;1-7-4-5-8(12-2)6-9(7)13(3,10)11;1-5-2-3-6(7(9)4-5)8(10,11)12;1-6-3-4-8(10-2)7(9)5-6;1-6-3-2-4-7(5-6)8(9,10)11;1-6-3-4-7(5-9-6)8(10)11-2;1-7-5-3-4-6-8(7)11(2,9)10;1-5-2-3-6(4-11-5)7(8,9)10;1-6-2-3-7(4-8)5-9-6;1-6-3-4-7(9-2)5-8-6;1-6-3-4-7(2)8-5-6;2*1-5-2-3-6(7)4-8-5;1-5-7-3-6(9-2)4-8-5;1-5-3-7-6(2)8-4-5;1-6-4-2-3-5-7-6;1-4-7-2-5(6)3-8-4;1-4-2-3-5(6)7-4;1-4-7-2-5(6)3-8-4;1-5-6-3-2-4-7-5/h2*2-5H,1H3,(H2,12,13);2*2-6H,1H3,(H2,11,12);2-4H,1H3,(H2,10,12)(H2,11,13);2-5H,1H3,(H2,10,12);2*2-5H,1H3,(H2,10,11,12);2-5H,1H3,(H2,10,12);2*2-4H,5H2,1H3,(H2,10,11);4-6H,1-3H3;2-4H,1H3;3-5H,1-2H3;2-5H,1H3;3-5H,1-2H3;3-6H,1-2H3;2-4H,1H3;2-3,5H,1H3;3-5H,1-2H3;3-5H,1-2H3;2*2-4H,1H3;3-4H,1-2H3;3-4H,1-2H3;2-5H,1H3;2-3H,1H3;2-3H,1H3;2-3H,1H3;2-4H,1H3
InChIKeyHDDPCYCFYVNDIA-UHFFFAOYSA-N
XLogP51.56
TPSA923.19 Ų
H-Bond Donors12
H-Bond Acceptors60
Rotatable Bonds7
Heavy Atoms310
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004394.69
LogP ≤ 551.56
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1060

Analyze 2-chloro-1-methoxy-4-methylbenzene;6-chloro-7-methylisoquinolin-1-amine;5-chloro-2-methylpyridine;5-chloro-2-methylpyrimidine;2-chloro-5-methylthiophene;2-chloro-4-methyl-1-(trifluoromethyl)benzene;2,5-dimethylpyridine;2,5-dimethylpyrimidine;6-fluoro-7-methylisoquinolin-1-amine;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;4-methoxy-1-methyl-2-methylsulfonylbenzene;5-methoxy-2-methylpyridine;5-methoxy-2-methylpyrimidine;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;methyl 6-methylpyridine-3-carboxylate;1-methyl-2-methylsulfonylbenzene;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;2-methylpyridine;6-methylpyridine-3-carbonitrile;2-methylpyrimidine;bis(7-methylquinazolin-4-amine);1-methyl-3-(trifluoromethyl)benzene;2-methyl-5-(trifluoromethyl)pyridine with MolForge

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Related Compounds

2-chloro-1-methoxy-4-methylbenzene;6-chloro-7-methylisoquinolin-1-amine;2-chloro-4-methyl-1-(trifluoromethyl)benzene;6-fluoro-7-methylisoquinolin-1-amine;5-methoxy-2-methylpyrimidine;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;6-methylisoquinolin-4-amine;7-methylisoquinolin-1-amine;7-methylisoquinolin-4-amine;6-methylisoquinoline-1,3-diamine;7-methylisoquinoline-1,3-diamine;methyl 6-methylpyridine-3-carboxylate;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;2-methylpyridine;bis(7-methylquinazolin-4-amine);6-methylquinolin-2-amine;7-methylquinolin-2-amine;1-methyl-3-(trifluoromethyl)benzene;2-methyl-5-(trifluoromethyl)pyridine
CID 157071318
1-amino-7-methylisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;2-chloro-1-methoxy-4-methylbenzene;6-chloro-7-methylisoquinolin-1-amine;5-chloro-2-methylpyrimidine;2-chloro-4-methyl-1-(trifluoromethyl)benzene;2,5-dimethylpyrimidine;6-fluoro-7-methylisoquinolin-1-amine;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;5-methoxy-2-methylpyridine;5-methoxy-2-methylpyrimidine;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;methyl 6-methylpyridine-3-carboxylate;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;2-methylpyridine;6-methylpyridine-3-carbonitrile;2-methylpyrimidine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine;1-methyl-3-(trifluoromethyl)benzene;2-methyl-5-(trifluoromethyl)pyridine
CID 157901637
2-chloro-1-methoxy-4-methylbenzene;6-chloro-7-methylisoquinolin-1-amine;2-chloro-4-methyl-1-(trifluoromethyl)benzene;6,7-dimethylquinazolin-4-amine;6-fluoro-7-methylisoquinolin-1-amine;5-methoxy-2-methylpyrimidine;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;6-methylisoquinolin-4-amine;7-methylisoquinolin-1-amine;7-methylisoquinolin-4-amine;6-methylisoquinoline-1,3-diamine;7-methylisoquinoline-1,3-diamine;methyl 6-methylpyridine-3-carboxylate;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;2-methylpyridine;7-methylquinazolin-4-amine;6-methylquinolin-2-amine;7-methylquinolin-2-amine;1-methyl-3-(trifluoromethyl)benzene;2-methyl-5-(trifluoromethyl)pyridine
CID 160703168
2-Chloro-1-methoxy-4-methylbenzene;2-chloro-5-methylaniline;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;5-chloro-2-methylpyridine;5-chloro-2-methylpyrimidine;2-chloro-5-methylthiophene;2-chloro-4-methyl-1-(trifluoromethyl)benzene;2,5-dimethylpyridine;2,5-dimethylpyrimidine;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;5-methoxy-2-methylbenzamide;1-methoxy-4-methylbenzene;5-methoxy-2-methylbenzenesulfonamide;5-methoxy-2-methylpyridine;5-methoxy-2-methylpyrimidine;2-methylbenzamide;3-methylbenzamide;2-methylbenzenesulfonamide;methyl 6-methylpyridine-3-carboxylate;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;2-methylpyridine;6-methylpyridine-3-carbonitrile;2-methylpyrimidine;1-methyl-3-(trifluoromethyl)benzene;2-methyl-5-(trifluoromethyl)pyridine
CID 161823798
CID 172950085
CID 172950085
1-amino-7-methylisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;5-amino-3-methylnaphthalene-2-sulfonamide;6-chloro-7-methylisoquinolin-1-amine;2-chloro-5-methylthiophene;6-fluoro-7-methylisoquinolin-1-amine;4-methoxy-1-methyl-2-methylsulfonylbenzene;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;1-methyl-2-methylsulfonylbenzene;7-methyl-6-methylsulfonylnaphthalen-1-amine;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;bis(7-methylquinazolin-4-amine)
CID 157199492
1-amino-7-methylisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;5-amino-3-methylnaphthalene-2-sulfonamide;6-chloro-7-methylisoquinolin-1-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;6-fluoro-7-methylisoquinolin-1-amine;4-methoxy-1-methyl-2-methylsulfonylbenzene;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;1-methyl-2-methylsulfonylbenzene;7-methyl-6-methylsulfonylnaphthalen-1-amine;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine
CID 157396864
1-amino-7-methylisoquinoline-6-carboxamide;6-chloro-7-methylisoquinolin-1-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;6-fluoro-7-methylisoquinolin-1-amine;5-methoxy-2-methylbenzenesulfonamide;4-methoxy-1-methyl-2-methylsulfonylbenzene;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;1-methyl-2-methylsulfonylbenzene;3-(3-methylphenyl)-1,4-dihydro-1,2,4-triazol-5-one;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine
CID 157459623
1-amino-7-methylisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;5-amino-3-methylnaphthalene-2-sulfonamide;6-chloro-7-methylisoquinolin-1-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;6-fluoro-7-methylisoquinolin-1-amine;4-methoxy-1-methyl-2-methylsulfonylbenzene;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;1-methyl-2-methylsulfonylbenzene;6-methylnaphthalene-1,4-diamine;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine
CID 157597175
1-amino-7-methylisoquinoline-6-carboxamide;1-amino-7-methylisoquinoline-6-sulfonamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;5-amino-3-methylnaphthalene-2-sulfonamide;8-amino-3-methylnaphthalene-2-sulfonamide;6-chloro-7-methylisoquinolin-1-amine;2-chloro-5-methylthiophene;6-fluoro-7-methylisoquinolin-1-amine;4-methoxy-1-methyl-2-methylsulfonylbenzene;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;1-methyl-2-methylsulfonylbenzene;7-methyl-6-methylsulfonylisoquinolin-1-amine;7-methyl-6-methylsulfonylnaphthalen-1-amine;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine
CID 157752528
1-amino-7-methylisoquinoline-6-carboxamide;6-chloro-7-methylisoquinolin-1-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;6-fluoro-7-methylisoquinolin-1-amine;5-methoxy-2-methylbenzenesulfonamide;4-methoxy-1-methyl-2-methylsulfonylbenzene;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;1-methyl-2-methylsulfonylbenzene;3-(3-methylphenyl)-1,4-dihydropyrazol-5-one;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine
CID 158173902
1-amino-7-methylisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;6-chloro-7-methylisoquinolin-1-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;6-fluoro-7-methylisoquinolin-1-amine;5-methoxy-2-methylbenzenesulfonamide;4-methoxy-1-methyl-2-methylsulfonylbenzene;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;1-methyl-2-methylsulfonylbenzene;3-(3-methylphenyl)-1,4-dihydropyrazol-5-one;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine
CID 158614770

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-methoxy-4-methylbenzene;6-chloro-7-methylisoquinolin-1-amine;5-chloro-2-methylpyridine;5-chloro-2-methylpyrimidine;2-chloro-5-methylthiophene;2-chloro-4-methyl-1-(trifluoromethyl)benzene;2,5-dimethylpyridine;2,5-dimethylpyrimidine;6-fluoro-7-methylisoquinolin-1-amine;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;4-methoxy-1-methyl-2-methylsulfonylbenzene;5-methoxy-2-methylpyridine;5-methoxy-2-methylpyrimidine;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;methyl 6-methylpyridine-3-carboxylate;1-methyl-2-methylsulfonylbenzene;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;2-methylpyridine;6-methylpyridine-3-carbonitrile;2-methylpyrimidine;bis(7-methylquinazolin-4-amine);1-methyl-3-(trifluoromethyl)benzene;2-methyl-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-chloro-1-methoxy-4-methylbenzene;6-chloro-7-methylisoquinolin-1-amine;5-chloro-2-methylpyridine;5-chloro-2-methylpyrimidine;2-chloro-5-methylthiophene;2-chloro-4-methyl-1-(trifluoromethyl)benzene;2,5-dimethylpyridine;2,5-dimethylpyrimidine;6-fluoro-7-methylisoquinolin-1-amine;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;4-methoxy-1-methyl-2-methylsulfonylbenzene;5-methoxy-2-methylpyridine;5-methoxy-2-methylpyrimidine;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;methyl 6-methylpyridine-3-carboxylate;1-methyl-2-methylsulfonylbenzene;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;2-methylpyridine;6-methylpyridine-3-carbonitrile;2-methylpyrimidine;bis(7-methylquinazolin-4-amine);1-methyl-3-(trifluoromethyl)benzene;2-methyl-5-(trifluoromethyl)pyridine (CID 158443913) is 2-chloro-1-methoxy-4-methylbenzene;6-chloro-7-methylisoquinolin-1-amine;5-chloro-2-methylpyridine;5-chloro-2-methylpyrimidine;2-chloro-5-methylthiophene;2-chloro-4-methyl-1-(trifluoromethyl)benzene;2,5-dimethylpyridine;2,5-dimethylpyrimidine;6-fluoro-7-methylisoquinolin-1-amine;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;4-methoxy-1-methyl-2-methylsulfonylbenzene;5-methoxy-2-methylpyridine;5-methoxy-2-methylpyrimidine;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;methyl 6-methylpyridine-3-carboxylate;1-methyl-2-methylsulfonylbenzene;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;2-methylpyridine;6-methylpyridine-3-carbonitrile;2-methylpyrimidine;bis(7-methylquinazolin-4-amine);1-methyl-3-(trifluoromethyl)benzene;2-methyl-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-chloro-1-methoxy-4-methylbenzene;6-chloro-7-methylisoquinolin-1-amine;5-chloro-2-methylpyridine;5-chloro-2-methylpyrimidine;2-chloro-5-methylthiophene;2-chloro-4-methyl-1-(trifluoromethyl)benzene;2,5-dimethylpyridine;2,5-dimethylpyrimidine;6-fluoro-7-methylisoquinolin-1-amine;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;4-methoxy-1-methyl-2-methylsulfonylbenzene;5-methoxy-2-methylpyridine;5-methoxy-2-methylpyrimidine;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;methyl 6-methylpyridine-3-carboxylate;1-methyl-2-methylsulfonylbenzene;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;2-methylpyridine;6-methylpyridine-3-carbonitrile;2-methylpyrimidine;bis(7-methylquinazolin-4-amine);1-methyl-3-(trifluoromethyl)benzene;2-methyl-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-chloro-1-methoxy-4-methylbenzene;6-chloro-7-methylisoquinolin-1-amine;5-chloro-2-methylpyridine;5-chloro-2-methylpyrimidine;2-chloro-5-methylthiophene;2-chloro-4-methyl-1-(trifluoromethyl)benzene;2,5-dimethylpyridine;2,5-dimethylpyrimidine;6-fluoro-7-methylisoquinolin-1-amine;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;4-methoxy-1-methyl-2-methylsulfonylbenzene;5-methoxy-2-methylpyridine;5-methoxy-2-methylpyrimidine;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;methyl 6-methylpyridine-3-carboxylate;1-methyl-2-methylsulfonylbenzene;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;2-methylpyridine;6-methylpyridine-3-carbonitrile;2-methylpyrimidine;bis(7-methylquinazolin-4-amine);1-methyl-3-(trifluoromethyl)benzene;2-methyl-5-(trifluoromethyl)pyridine is COC(=O)c1ccc(C)nc1.COc1ccc(C)c(S(C)(=O)=O)c1.COc1ccc(C)cc1Cl.COc1ccc(C)nc1.COc1cnc(C)nc1.Cc1cc2c(N)nccc2cc1Cl.Cc1cc2c(N)nccc2cc1F.Cc1ccc(C#N)cn1.Cc1ccc(C(F)(F)F)c(Cl)c1.Cc1ccc(C(F)(F)F)cn1.Cc1ccc(C)nc1.Cc1ccc(Cl)cn1.Cc1ccc(Cl)s1.Cc1ccc(F)cn1.Cc1ccc2c(N)nccc2c1.Cc1ccc2c(N)ncnc2c1.Cc1ccc2c(N)ncnc2c1.Cc1ccc2c(N)nnc(N)c2c1.Cc1ccc2c(N)nncc2c1.Cc1ccc2c(c1)C(N)=NOC2.Cc1ccc2c(c1)CON=C2N.Cc1ccc2ccnc(N)c2c1.Cc1ccc2cnnc(N)c2c1.Cc1cccc(C(F)(F)F)c1.Cc1ccccc1S(C)(=O)=O.Cc1ccccn1.Cc1cnc(C)nc1.Cc1ncc(Cl)cn1.Cc1ncc(F)cn1.Cc1ncccn1.
What is the InChIKey of 2-chloro-1-methoxy-4-methylbenzene;6-chloro-7-methylisoquinolin-1-amine;5-chloro-2-methylpyridine;5-chloro-2-methylpyrimidine;2-chloro-5-methylthiophene;2-chloro-4-methyl-1-(trifluoromethyl)benzene;2,5-dimethylpyridine;2,5-dimethylpyrimidine;6-fluoro-7-methylisoquinolin-1-amine;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;4-methoxy-1-methyl-2-methylsulfonylbenzene;5-methoxy-2-methylpyridine;5-methoxy-2-methylpyrimidine;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;methyl 6-methylpyridine-3-carboxylate;1-methyl-2-methylsulfonylbenzene;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;2-methylpyridine;6-methylpyridine-3-carbonitrile;2-methylpyrimidine;bis(7-methylquinazolin-4-amine);1-methyl-3-(trifluoromethyl)benzene;2-methyl-5-(trifluoromethyl)pyridine?
The InChIKey is HDDPCYCFYVNDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2.C10H9FN2.2C10H10N2.C9H10N4.4C9H9N3.2C9H10N2O.C9H12O3S.C8H6ClF3.C8H9ClO.C8H7F3.C8H9NO2.C8H10O2S.C7H6F3N.C7H6N2.C7H9NO.C7H9N.C6H6ClN.C6H6FN.C6H8N2O.C6H8N2.C6H7N.C5H5ClN2.C5H5ClS.C5H5FN2.C5H6N2/c2*1-6-4-8-7(5-9(6)11)2-3-13-10(8)12;1-7-2-3-9-8(6-7)4-5-12-10(9)11;1-7-2-3-8-4-5-12-10(11)9(8)6-7;1-5-2-3-6-7(4-5)9(11)13-12-8(6)10;1-6-2-3-8-7(4-6)5-11-12-9(8)10;2*1-6-2-3-7-8(4-6)11-5-12-9(7)10;1-6-2-3-7-5-11-12-9(10)8(7)4-6;1-6-2-3-8-7(4-6)5-12-11-9(8)10;1-6-2-3-7-5-12-11-9(10)8(7)4-6;1-7-4-5-8(12-2)6-9(7)13(3,10)11;1-5-2-3-6(7(9)4-5)8(10,11)12;1-6-3-4-8(10-2)7(9)5-6;1-6-3-2-4-7(5-6)8(9,10)11;1-6-3-4-7(5-9-6)8(10)11-2;1-7-5-3-4-6-8(7)11(2,9)10;1-5-2-3-6(4-11-5)7(8,9)10;1-6-2-3-7(4-8)5-9-6;1-6-3-4-7(9-2)5-8-6;1-6-3-4-7(2)8-5-6;2*1-5-2-3-6(7)4-8-5;1-5-7-3-6(9-2)4-8-5;1-5-3-7-6(2)8-4-5;1-6-4-2-3-5-7-6;1-4-7-2-5(6)3-8-4;1-4-2-3-5(6)7-4;1-4-7-2-5(6)3-8-4;1-5-6-3-2-4-7-5/h2*2-5H,1H3,(H2,12,13);2*2-6H,1H3,(H2,11,12);2-4H,1H3,(H2,10,12)(H2,11,13);2-5H,1H3,(H2,10,12);2*2-5H,1H3,(H2,10,11,12);2-5H,1H3,(H2,10,12);2*2-4H,5H2,1H3,(H2,10,11);4-6H,1-3H3;2-4H,1H3;3-5H,1-2H3;2-5H,1H3;3-5H,1-2H3;3-6H,1-2H3;2-4H,1H3;2-3,5H,1H3;3-5H,1-2H3;3-5H,1-2H3;2*2-4H,1H3;3-4H,1-2H3;3-4H,1-2H3;2-5H,1H3;2-3H,1H3;2-3H,1H3;2-3H,1H3;2-4H,1H3.
What are the key properties of 2-chloro-1-methoxy-4-methylbenzene;6-chloro-7-methylisoquinolin-1-amine;5-chloro-2-methylpyridine;5-chloro-2-methylpyrimidine;2-chloro-5-methylthiophene;2-chloro-4-methyl-1-(trifluoromethyl)benzene;2,5-dimethylpyridine;2,5-dimethylpyrimidine;6-fluoro-7-methylisoquinolin-1-amine;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;4-methoxy-1-methyl-2-methylsulfonylbenzene;5-methoxy-2-methylpyridine;5-methoxy-2-methylpyrimidine;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;methyl 6-methylpyridine-3-carboxylate;1-methyl-2-methylsulfonylbenzene;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;2-methylpyridine;6-methylpyridine-3-carbonitrile;2-methylpyrimidine;bis(7-methylquinazolin-4-amine);1-methyl-3-(trifluoromethyl)benzene;2-methyl-5-(trifluoromethyl)pyridine?
2-chloro-1-methoxy-4-methylbenzene;6-chloro-7-methylisoquinolin-1-amine;5-chloro-2-methylpyridine;5-chloro-2-methylpyrimidine;2-chloro-5-methylthiophene;2-chloro-4-methyl-1-(trifluoromethyl)benzene;2,5-dimethylpyridine;2,5-dimethylpyrimidine;6-fluoro-7-methylisoquinolin-1-amine;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;4-methoxy-1-methyl-2-methylsulfonylbenzene;5-methoxy-2-methylpyridine;5-methoxy-2-methylpyrimidine;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;methyl 6-methylpyridine-3-carboxylate;1-methyl-2-methylsulfonylbenzene;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;2-methylpyridine;6-methylpyridine-3-carbonitrile;2-methylpyrimidine;bis(7-methylquinazolin-4-amine);1-methyl-3-(trifluoromethyl)benzene;2-methyl-5-(trifluoromethyl)pyridine has a molecular weight of 4394.69 g/mol, XLogP of 51.56, 7 rotatable bonds, 12 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-methoxy-4-methylbenzene;6-chloro-7-methylisoquinolin-1-amine;5-chloro-2-methylpyridine;5-chloro-2-methylpyrimidine;2-chloro-5-methylthiophene;2-chloro-4-methyl-1-(trifluoromethyl)benzene;2,5-dimethylpyridine;2,5-dimethylpyrimidine;6-fluoro-7-methylisoquinolin-1-amine;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;4-methoxy-1-methyl-2-methylsulfonylbenzene;5-methoxy-2-methylpyridine;5-methoxy-2-methylpyrimidine;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;methyl 6-methylpyridine-3-carboxylate;1-methyl-2-methylsulfonylbenzene;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;2-methylpyridine;6-methylpyridine-3-carbonitrile;2-methylpyrimidine;bis(7-methylquinazolin-4-amine);1-methyl-3-(trifluoromethyl)benzene;2-methyl-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 158443913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).