5-[2-(2-chloro-6-methylphenoxy)-6-(2-cyclopropylethylsulfonylmethyl)pyrimidin-4-yl]-1-methylpyridin-2-one

C23H24ClN3O4S — CID 159393817

IUPAC5-[2-(2-chloro-6-methylphenoxy)-6-(2-cyclopropylethylsulfonylmethyl)pyrimidin-4-yl]-1-methylpyridin-2-one
SMILESCc1cccc(Cl)c1Oc1nc(CS(=O)(=O)CCC2CC2)cc(-c2ccc(=O)n(C)c2)n1
InChIInChI=1S/C23H24ClN3O4S/c1-15-4-3-5-19(24)22(15)31-23-25-18(14-32(29,30)11-10-16-6-7-16)12-20(26-23)17-8-9-21(28)27(2)13-17/h3-5,8-9,12-13,16H,6-7,10-11,14H2,1-2H3
InChIKeyLMLOCXGMTOCWBE-UHFFFAOYSA-N
MW473.98 g/mol
LogP4.31
Rot. Bonds8

About 5-[2-(2-chloro-6-methylphenoxy)-6-(2-cyclopropylethylsulfonylmethyl)pyrimidin-4-yl]-1-methylpyridin-2-one

5-[2-(2-chloro-6-methylphenoxy)-6-(2-cyclopropylethylsulfonylmethyl)pyrimidin-4-yl]-1-methylpyridin-2-one (PubChem CID 159393817) has the molecular formula C23H24ClN3O4S and a molecular weight of 473.98 g/mol. Its IUPAC name is 5-[2-(2-chloro-6-methylphenoxy)-6-(2-cyclopropylethylsulfonylmethyl)pyrimidin-4-yl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[2-(2-chloro-6-methylphenoxy)-6-(2-cyclopropylethylsulfonylmethyl)pyrimidin-4-yl]-1-methylpyridin-2-one
PubChem CID159393817
Molecular FormulaC23H24ClN3O4S
Molecular Weight473.98 g/mol
Exact Mass473.12
IUPAC Name5-[2-(2-chloro-6-methylphenoxy)-6-(2-cyclopropylethylsulfonylmethyl)pyrimidin-4-yl]-1-methylpyridin-2-one
SMILESCc1cccc(Cl)c1Oc1nc(CS(=O)(=O)CCC2CC2)cc(-c2ccc(=O)n(C)c2)n1
InChIInChI=1S/C23H24ClN3O4S/c1-15-4-3-5-19(24)22(15)31-23-25-18(14-32(29,30)11-10-16-6-7-16)12-20(26-23)17-8-9-21(28)27(2)13-17/h3-5,8-9,12-13,16H,6-7,10-11,14H2,1-2H3
InChIKeyLMLOCXGMTOCWBE-UHFFFAOYSA-N
XLogP4.31
TPSA91.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.98
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[2-(2-chloro-6-methylphenoxy)-6-(2-cyclopropylethylsulfonylmethyl)pyrimidin-4-yl]-1-methylpyridin-2-one with MolForge

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Related Compounds

5-[2-(2-chloro-6-fluorophenoxy)-6-(propylsulfonylmethyl)pyrimidin-4-yl]-1-methylpyridin-2-one
CID 159896986
5-[6-(butylsulfonylmethyl)-2-(2-chloro-6-methylphenoxy)pyrimidin-4-yl]-3-chloro-1-methylpyridin-2-one
CID 160663487
5-[2-[2-(cyclopropylmethoxy)-6-fluorophenoxy]-6-(propylsulfonylmethyl)pyrimidin-4-yl]-1-methylpyridin-2-one
CID 160782960
3-chloro-5-[2-(2-fluoro-6-methylphenoxy)-6-(propan-2-ylsulfonylmethyl)pyrimidin-4-yl]-1-methylpyridin-2-one
CID 152790912
5-[6-[[(1R)-2,3-dihydro-1H-inden-1-yl]methyl]-2-(2-fluoro-6-methylphenoxy)pyrimidin-4-yl]-1-methylpyridin-2-one
CID 160989743
5-[6-[[(2R)-butan-2-yl]sulfonylmethyl]-2-(2,6-difluorophenoxy)pyrimidin-4-yl]-1-methylpyridin-2-one
CID 148957805
5-[2-[2-fluoro-6-(trifluoromethyl)phenoxy]-6-(propan-2-ylsulfonylmethyl)pyrimidin-4-yl]-1-methylpyridin-2-one
CID 146845655
5-[4-(butylsulfonylmethyl)-6-(2-fluoro-6-methylphenoxy)pyrimidin-2-yl]-1-methylpyridin-2-one
CID 157463021
3-methyl-2-[4-(1-methyl-6-oxo-3-pyridinyl)-6-(2-pyridin-3-ylethyl)pyrimidin-2-yl]oxybenzonitrile
CID 152974961
5-[6-[2-(4-ethylphenyl)propyl]-2-(2-fluoro-6-methylphenoxy)pyrimidin-4-yl]-1-methylpyridin-2-one
CID 158201888
5-[2-(2,5-dichlorophenoxy)-6-(propan-2-ylsulfonylmethyl)pyrimidin-4-yl]-1,3-dimethylpyridin-2-one
CID 159686923
5-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-1-methylpyridin-2-one
CID 118022228

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-chloro-6-methylphenoxy)-6-(2-cyclopropylethylsulfonylmethyl)pyrimidin-4-yl]-1-methylpyridin-2-one?
The IUPAC name of 5-[2-(2-chloro-6-methylphenoxy)-6-(2-cyclopropylethylsulfonylmethyl)pyrimidin-4-yl]-1-methylpyridin-2-one (CID 159393817) is 5-[2-(2-chloro-6-methylphenoxy)-6-(2-cyclopropylethylsulfonylmethyl)pyrimidin-4-yl]-1-methylpyridin-2-one.
What is the SMILES notation for 5-[2-(2-chloro-6-methylphenoxy)-6-(2-cyclopropylethylsulfonylmethyl)pyrimidin-4-yl]-1-methylpyridin-2-one?
The canonical SMILES for 5-[2-(2-chloro-6-methylphenoxy)-6-(2-cyclopropylethylsulfonylmethyl)pyrimidin-4-yl]-1-methylpyridin-2-one is Cc1cccc(Cl)c1Oc1nc(CS(=O)(=O)CCC2CC2)cc(-c2ccc(=O)n(C)c2)n1.
What is the InChIKey of 5-[2-(2-chloro-6-methylphenoxy)-6-(2-cyclopropylethylsulfonylmethyl)pyrimidin-4-yl]-1-methylpyridin-2-one?
The InChIKey is LMLOCXGMTOCWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O4S/c1-15-4-3-5-19(24)22(15)31-23-25-18(14-32(29,30)11-10-16-6-7-16)12-20(26-23)17-8-9-21(28)27(2)13-17/h3-5,8-9,12-13,16H,6-7,10-11,14H2,1-2H3.
What are the key properties of 5-[2-(2-chloro-6-methylphenoxy)-6-(2-cyclopropylethylsulfonylmethyl)pyrimidin-4-yl]-1-methylpyridin-2-one?
5-[2-(2-chloro-6-methylphenoxy)-6-(2-cyclopropylethylsulfonylmethyl)pyrimidin-4-yl]-1-methylpyridin-2-one has a molecular weight of 473.98 g/mol, XLogP of 4.31, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-chloro-6-methylphenoxy)-6-(2-cyclopropylethylsulfonylmethyl)pyrimidin-4-yl]-1-methylpyridin-2-one is sourced from PubChem (CID 159393817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).