5-chloro-1-methoxy-2,3-dimethylbenzene;2,3-dimethylpyridine;5,6-dimethyl-1,2,3,4-tetrahydropyridine;1,2-dimethyl-4-(trifluoromethoxy)benzene;2-ethyl-4,5-dimethylpyrimidine;methane;N,2,3-trimethylbenzamide;1,2-xylene

C65H105ClF3N5O3 — CID 158204491

IUPAC5-chloro-1-methoxy-2,3-dimethylbenzene;2,3-dimethylpyridine;5,6-dimethyl-1,2,3,4-tetrahydropyridine;1,2-dimethyl-4-(trifluoromethoxy)benzene;2-ethyl-4,5-dimethylpyrimidine;methane;N,2,3-trimethylbenzamide;1,2-xylene
SMILESC.C.C.C.C.C.C.CC1=C(C)NCCC1.CCc1ncc(C)c(C)n1.CNC(=O)c1cccc(C)c1C.COc1cc(Cl)cc(C)c1C.Cc1ccc(OC(F)(F)F)cc1C.Cc1ccccc1C.Cc1cccnc1C
InChIInChI=1S/C10H13NO.C9H11ClO.C9H9F3O.C8H12N2.C8H10.C7H13N.C7H9N.7CH4/c1-7-5-4-6-9(8(7)2)10(12)11-3;1-6-4-8(10)5-9(11-3)7(6)2;1-6-3-4-8(5-7(6)2)13-9(10,11)12;1-4-8-9-5-6(2)7(3)10-8;1-7-5-3-4-6-8(7)2;2*1-6-4-3-5-8-7(6)2;;;;;;;/h4-6H,1-3H3,(H,11,12);4-5H,1-3H3;3-5H,1-2H3;5H,4H2,1-3H3;3-6H,1-2H3;8H,3-5H2,1-2H3;3-5H,1-2H3;7*1H4
InChIKeyGBIGCTNOUYOJDJ-UHFFFAOYSA-N
MW1097.03 g/mol
LogP19.60
Rot. Bonds4

About 5-chloro-1-methoxy-2,3-dimethylbenzene;2,3-dimethylpyridine;5,6-dimethyl-1,2,3,4-tetrahydropyridine;1,2-dimethyl-4-(trifluoromethoxy)benzene;2-ethyl-4,5-dimethylpyrimidine;methane;N,2,3-trimethylbenzamide;1,2-xylene

5-chloro-1-methoxy-2,3-dimethylbenzene;2,3-dimethylpyridine;5,6-dimethyl-1,2,3,4-tetrahydropyridine;1,2-dimethyl-4-(trifluoromethoxy)benzene;2-ethyl-4,5-dimethylpyrimidine;methane;N,2,3-trimethylbenzamide;1,2-xylene (PubChem CID 158204491) has the molecular formula C65H105ClF3N5O3 and a molecular weight of 1097.03 g/mol. Its IUPAC name is 5-chloro-1-methoxy-2,3-dimethylbenzene;2,3-dimethylpyridine;5,6-dimethyl-1,2,3,4-tetrahydropyridine;1,2-dimethyl-4-(trifluoromethoxy)benzene;2-ethyl-4,5-dimethylpyrimidine;methane;N,2,3-trimethylbenzamide;1,2-xylene.

Molecular Properties

Compound Name5-chloro-1-methoxy-2,3-dimethylbenzene;2,3-dimethylpyridine;5,6-dimethyl-1,2,3,4-tetrahydropyridine;1,2-dimethyl-4-(trifluoromethoxy)benzene;2-ethyl-4,5-dimethylpyrimidine;methane;N,2,3-trimethylbenzamide;1,2-xylene
PubChem CID158204491
Molecular FormulaC65H105ClF3N5O3
Molecular Weight1097.03 g/mol
Exact Mass1095.79
IUPAC Name5-chloro-1-methoxy-2,3-dimethylbenzene;2,3-dimethylpyridine;5,6-dimethyl-1,2,3,4-tetrahydropyridine;1,2-dimethyl-4-(trifluoromethoxy)benzene;2-ethyl-4,5-dimethylpyrimidine;methane;N,2,3-trimethylbenzamide;1,2-xylene
SMILESC.C.C.C.C.C.C.CC1=C(C)NCCC1.CCc1ncc(C)c(C)n1.CNC(=O)c1cccc(C)c1C.COc1cc(Cl)cc(C)c1C.Cc1ccc(OC(F)(F)F)cc1C.Cc1ccccc1C.Cc1cccnc1C
InChIInChI=1S/C10H13NO.C9H11ClO.C9H9F3O.C8H12N2.C8H10.C7H13N.C7H9N.7CH4/c1-7-5-4-6-9(8(7)2)10(12)11-3;1-6-4-8(10)5-9(11-3)7(6)2;1-6-3-4-8(5-7(6)2)13-9(10,11)12;1-4-8-9-5-6(2)7(3)10-8;1-7-5-3-4-6-8(7)2;2*1-6-4-3-5-8-7(6)2;;;;;;;/h4-6H,1-3H3,(H,11,12);4-5H,1-3H3;3-5H,1-2H3;5H,4H2,1-3H3;3-6H,1-2H3;8H,3-5H2,1-2H3;3-5H,1-2H3;7*1H4
InChIKeyGBIGCTNOUYOJDJ-UHFFFAOYSA-N
XLogP19.60
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001097.03
LogP ≤ 519.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-chloro-1-methoxy-2,3-dimethylbenzene;2,3-dimethylpyridine;5,6-dimethyl-1,2,3,4-tetrahydropyridine;1,2-dimethyl-4-(trifluoromethoxy)benzene;2-ethyl-4,5-dimethylpyrimidine;methane;N,2,3-trimethylbenzamide;1,2-xylene with MolForge

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Related Compounds

5-(3-{1-[4-Amino-3-(difluoromethyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl}-5-chloro-2-methoxy-6-methylphenyl)-N,N-dimethylpyridine-2-carboxamide
CID 89425121
5-[3-[1-[(6-amino-5-ethanimidoylpyrimidin-4-yl)amino]ethyl]-5-chloro-2-(2,2-difluoroethoxy)-6-methylphenyl]-N,N-dimethylpyridine-2-carboxamide
CID 89425138
[4-[[4-(4-Chlorophenyl)pyrimidin-2-yl]amino]piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 54580035
(12aS)-N-[(3-chlorophenyl)methyl]-2-methoxy-7,7,9,12a-tetramethyl-5,6,6a,12-tetrahydronaphtho[1,2-g]quinazoline-3-carboxamide
CID 155558995
Aurora A degrader CCT400028
CID 177865746
[4-[[9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]phenyl]-[3-(dimethylamino)azetidin-1-yl]methanone
CID 11505120
(4-aminopiperidin-1-yl)-[4-[[9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]phenyl]methanone
CID 11527039
[4-[[9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]phenyl]-(3-methylpiperazin-1-yl)methanone
CID 11548686
(3-aminopyrrolidin-1-yl)-[4-[[9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]phenyl]methanone
CID 11555845
[4-[[9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]phenyl]-[3-(methylamino)azetidin-1-yl]methanone
CID 11563078
(3-aminoazetidin-1-yl)-[4-[[9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]phenyl]methanone
CID 11599157
[4-[[9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]phenyl]-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 11692668

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methoxy-2,3-dimethylbenzene;2,3-dimethylpyridine;5,6-dimethyl-1,2,3,4-tetrahydropyridine;1,2-dimethyl-4-(trifluoromethoxy)benzene;2-ethyl-4,5-dimethylpyrimidine;methane;N,2,3-trimethylbenzamide;1,2-xylene?
The IUPAC name of 5-chloro-1-methoxy-2,3-dimethylbenzene;2,3-dimethylpyridine;5,6-dimethyl-1,2,3,4-tetrahydropyridine;1,2-dimethyl-4-(trifluoromethoxy)benzene;2-ethyl-4,5-dimethylpyrimidine;methane;N,2,3-trimethylbenzamide;1,2-xylene (CID 158204491) is 5-chloro-1-methoxy-2,3-dimethylbenzene;2,3-dimethylpyridine;5,6-dimethyl-1,2,3,4-tetrahydropyridine;1,2-dimethyl-4-(trifluoromethoxy)benzene;2-ethyl-4,5-dimethylpyrimidine;methane;N,2,3-trimethylbenzamide;1,2-xylene.
What is the SMILES notation for 5-chloro-1-methoxy-2,3-dimethylbenzene;2,3-dimethylpyridine;5,6-dimethyl-1,2,3,4-tetrahydropyridine;1,2-dimethyl-4-(trifluoromethoxy)benzene;2-ethyl-4,5-dimethylpyrimidine;methane;N,2,3-trimethylbenzamide;1,2-xylene?
The canonical SMILES for 5-chloro-1-methoxy-2,3-dimethylbenzene;2,3-dimethylpyridine;5,6-dimethyl-1,2,3,4-tetrahydropyridine;1,2-dimethyl-4-(trifluoromethoxy)benzene;2-ethyl-4,5-dimethylpyrimidine;methane;N,2,3-trimethylbenzamide;1,2-xylene is C.C.C.C.C.C.C.CC1=C(C)NCCC1.CCc1ncc(C)c(C)n1.CNC(=O)c1cccc(C)c1C.COc1cc(Cl)cc(C)c1C.Cc1ccc(OC(F)(F)F)cc1C.Cc1ccccc1C.Cc1cccnc1C.
What is the InChIKey of 5-chloro-1-methoxy-2,3-dimethylbenzene;2,3-dimethylpyridine;5,6-dimethyl-1,2,3,4-tetrahydropyridine;1,2-dimethyl-4-(trifluoromethoxy)benzene;2-ethyl-4,5-dimethylpyrimidine;methane;N,2,3-trimethylbenzamide;1,2-xylene?
The InChIKey is GBIGCTNOUYOJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO.C9H11ClO.C9H9F3O.C8H12N2.C8H10.C7H13N.C7H9N.7CH4/c1-7-5-4-6-9(8(7)2)10(12)11-3;1-6-4-8(10)5-9(11-3)7(6)2;1-6-3-4-8(5-7(6)2)13-9(10,11)12;1-4-8-9-5-6(2)7(3)10-8;1-7-5-3-4-6-8(7)2;2*1-6-4-3-5-8-7(6)2;;;;;;;/h4-6H,1-3H3,(H,11,12);4-5H,1-3H3;3-5H,1-2H3;5H,4H2,1-3H3;3-6H,1-2H3;8H,3-5H2,1-2H3;3-5H,1-2H3;7*1H4.
What are the key properties of 5-chloro-1-methoxy-2,3-dimethylbenzene;2,3-dimethylpyridine;5,6-dimethyl-1,2,3,4-tetrahydropyridine;1,2-dimethyl-4-(trifluoromethoxy)benzene;2-ethyl-4,5-dimethylpyrimidine;methane;N,2,3-trimethylbenzamide;1,2-xylene?
5-chloro-1-methoxy-2,3-dimethylbenzene;2,3-dimethylpyridine;5,6-dimethyl-1,2,3,4-tetrahydropyridine;1,2-dimethyl-4-(trifluoromethoxy)benzene;2-ethyl-4,5-dimethylpyrimidine;methane;N,2,3-trimethylbenzamide;1,2-xylene has a molecular weight of 1097.03 g/mol, XLogP of 19.60, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methoxy-2,3-dimethylbenzene;2,3-dimethylpyridine;5,6-dimethyl-1,2,3,4-tetrahydropyridine;1,2-dimethyl-4-(trifluoromethoxy)benzene;2-ethyl-4,5-dimethylpyrimidine;methane;N,2,3-trimethylbenzamide;1,2-xylene is sourced from PubChem (CID 158204491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).