5-[6-[[(2R)-butan-2-yl]sulfonylmethyl]-2-(2,6-difluorophenoxy)pyrimidin-4-yl]-1-methylpyridin-2-one

C21H21F2N3O4S — CID 148957805

IUPAC5-[6-[[(2R)-butan-2-yl]sulfonylmethyl]-2-(2,6-difluorophenoxy)pyrimidin-4-yl]-1-methylpyridin-2-one
SMILESCC[C@@H](C)S(=O)(=O)Cc1cc(-c2ccc(=O)n(C)c2)nc(Oc2c(F)cccc2F)n1
InChIInChI=1S/C21H21F2N3O4S/c1-4-13(2)31(28,29)12-15-10-18(14-8-9-19(27)26(3)11-14)25-21(24-15)30-20-16(22)6-5-7-17(20)23/h5-11,13H,4,12H2,1-3H3/t13-/m1/s1
InChIKeyPRFGSOHKJVGSKG-CYBMUJFWSA-N
MW449.48 g/mol
LogP3.63
Rot. Bonds7

About 5-[6-[[(2R)-butan-2-yl]sulfonylmethyl]-2-(2,6-difluorophenoxy)pyrimidin-4-yl]-1-methylpyridin-2-one

5-[6-[[(2R)-butan-2-yl]sulfonylmethyl]-2-(2,6-difluorophenoxy)pyrimidin-4-yl]-1-methylpyridin-2-one (PubChem CID 148957805) has the molecular formula C21H21F2N3O4S and a molecular weight of 449.48 g/mol. Its IUPAC name is 5-[6-[[(2R)-butan-2-yl]sulfonylmethyl]-2-(2,6-difluorophenoxy)pyrimidin-4-yl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[6-[[(2R)-butan-2-yl]sulfonylmethyl]-2-(2,6-difluorophenoxy)pyrimidin-4-yl]-1-methylpyridin-2-one
PubChem CID148957805
Molecular FormulaC21H21F2N3O4S
Molecular Weight449.48 g/mol
Exact Mass449.12
IUPAC Name5-[6-[[(2R)-butan-2-yl]sulfonylmethyl]-2-(2,6-difluorophenoxy)pyrimidin-4-yl]-1-methylpyridin-2-one
SMILESCC[C@@H](C)S(=O)(=O)Cc1cc(-c2ccc(=O)n(C)c2)nc(Oc2c(F)cccc2F)n1
InChIInChI=1S/C21H21F2N3O4S/c1-4-13(2)31(28,29)12-15-10-18(14-8-9-19(27)26(3)11-14)25-21(24-15)30-20-16(22)6-5-7-17(20)23/h5-11,13H,4,12H2,1-3H3/t13-/m1/s1
InChIKeyPRFGSOHKJVGSKG-CYBMUJFWSA-N
XLogP3.63
TPSA91.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.48
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[6-[[(2R)-butan-2-yl]sulfonylmethyl]-2-(2,6-difluorophenoxy)pyrimidin-4-yl]-1-methylpyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[2-[2-fluoro-6-(trifluoromethyl)phenoxy]-6-(propan-2-ylsulfonylmethyl)pyrimidin-4-yl]-1-methylpyridin-2-one
CID 146845655
5-[2-(2-chloro-6-fluorophenoxy)-6-(propylsulfonylmethyl)pyrimidin-4-yl]-1-methylpyridin-2-one
CID 159896986
3-chloro-5-[2-(2-fluoro-6-methylphenoxy)-6-(propan-2-ylsulfonylmethyl)pyrimidin-4-yl]-1-methylpyridin-2-one
CID 152790912
5-[2-[2-(cyclopropylmethoxy)-6-fluorophenoxy]-6-(propylsulfonylmethyl)pyrimidin-4-yl]-1-methylpyridin-2-one
CID 160782960
5-[6-[2-(4-ethylphenyl)propyl]-2-(2-fluoro-6-methylphenoxy)pyrimidin-4-yl]-1-methylpyridin-2-one
CID 158201888
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
2-[4-(butylsulfonylmethyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrimidin-2-yl]oxy-5-fluoro-3-methylbenzonitrile
CID 157303082
5-[2-(2-chloro-6-methylphenoxy)-6-(2-cyclopropylethylsulfonylmethyl)pyrimidin-4-yl]-1-methylpyridin-2-one
CID 159393817
5-[4-(butylsulfonylmethyl)-6-(2-fluoro-6-methylphenoxy)pyrimidin-2-yl]-1-methylpyridin-2-one
CID 157463021
5-[2-(2,5-dichlorophenoxy)-6-(propan-2-ylsulfonylmethyl)pyrimidin-4-yl]-1,3-dimethylpyridin-2-one
CID 159686923
3-methyl-2-[4-(1-methyl-6-oxo-3-pyridinyl)-6-(2-pyridin-3-ylethyl)pyrimidin-2-yl]oxybenzonitrile
CID 152974961
5-[6-(butylsulfonylmethyl)-2-(2-chloro-6-methylphenoxy)pyrimidin-4-yl]-3-chloro-1-methylpyridin-2-one
CID 160663487

Frequently Asked Questions

What is the IUPAC name of 5-[6-[[(2R)-butan-2-yl]sulfonylmethyl]-2-(2,6-difluorophenoxy)pyrimidin-4-yl]-1-methylpyridin-2-one?
The IUPAC name of 5-[6-[[(2R)-butan-2-yl]sulfonylmethyl]-2-(2,6-difluorophenoxy)pyrimidin-4-yl]-1-methylpyridin-2-one (CID 148957805) is 5-[6-[[(2R)-butan-2-yl]sulfonylmethyl]-2-(2,6-difluorophenoxy)pyrimidin-4-yl]-1-methylpyridin-2-one.
What is the SMILES notation for 5-[6-[[(2R)-butan-2-yl]sulfonylmethyl]-2-(2,6-difluorophenoxy)pyrimidin-4-yl]-1-methylpyridin-2-one?
The canonical SMILES for 5-[6-[[(2R)-butan-2-yl]sulfonylmethyl]-2-(2,6-difluorophenoxy)pyrimidin-4-yl]-1-methylpyridin-2-one is CC[C@@H](C)S(=O)(=O)Cc1cc(-c2ccc(=O)n(C)c2)nc(Oc2c(F)cccc2F)n1.
What is the InChIKey of 5-[6-[[(2R)-butan-2-yl]sulfonylmethyl]-2-(2,6-difluorophenoxy)pyrimidin-4-yl]-1-methylpyridin-2-one?
The InChIKey is PRFGSOHKJVGSKG-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H21F2N3O4S/c1-4-13(2)31(28,29)12-15-10-18(14-8-9-19(27)26(3)11-14)25-21(24-15)30-20-16(22)6-5-7-17(20)23/h5-11,13H,4,12H2,1-3H3/t13-/m1/s1.
What are the key properties of 5-[6-[[(2R)-butan-2-yl]sulfonylmethyl]-2-(2,6-difluorophenoxy)pyrimidin-4-yl]-1-methylpyridin-2-one?
5-[6-[[(2R)-butan-2-yl]sulfonylmethyl]-2-(2,6-difluorophenoxy)pyrimidin-4-yl]-1-methylpyridin-2-one has a molecular weight of 449.48 g/mol, XLogP of 3.63, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[[(2R)-butan-2-yl]sulfonylmethyl]-2-(2,6-difluorophenoxy)pyrimidin-4-yl]-1-methylpyridin-2-one is sourced from PubChem (CID 148957805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).