4-(2-methylsulfonylpyrimidin-4-yl)-1H-pyridin-2-one

C10H9N3O3S — CID 118447094

IUPAC4-(2-methylsulfonylpyrimidin-4-yl)-1H-pyridin-2-one
SMILESCS(=O)(=O)c1nccc(-c2cc[nH]c(=O)c2)n1
InChIInChI=1S/C10H9N3O3S/c1-17(15,16)10-12-5-3-8(13-10)7-2-4-11-9(14)6-7/h2-6H,1H3,(H,11,14)
InChIKeyRAEXTEKKMYSCEX-UHFFFAOYSA-N
MW251.27 g/mol
LogP0.24
Rot. Bonds2

About 4-(2-methylsulfonylpyrimidin-4-yl)-1H-pyridin-2-one

4-(2-methylsulfonylpyrimidin-4-yl)-1H-pyridin-2-one (PubChem CID 118447094) has the molecular formula C10H9N3O3S and a molecular weight of 251.27 g/mol. Its IUPAC name is 4-(2-methylsulfonylpyrimidin-4-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(2-methylsulfonylpyrimidin-4-yl)-1H-pyridin-2-one
PubChem CID118447094
Molecular FormulaC10H9N3O3S
Molecular Weight251.27 g/mol
Exact Mass251.04
IUPAC Name4-(2-methylsulfonylpyrimidin-4-yl)-1H-pyridin-2-one
SMILESCS(=O)(=O)c1nccc(-c2cc[nH]c(=O)c2)n1
InChIInChI=1S/C10H9N3O3S/c1-17(15,16)10-12-5-3-8(13-10)7-2-4-11-9(14)6-7/h2-6H,1H3,(H,11,14)
InChIKeyRAEXTEKKMYSCEX-UHFFFAOYSA-N
XLogP0.24
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.27
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylsulfonylpyrimidin-4-yl)-1H-pyridin-2-one?
The IUPAC name of 4-(2-methylsulfonylpyrimidin-4-yl)-1H-pyridin-2-one (CID 118447094) is 4-(2-methylsulfonylpyrimidin-4-yl)-1H-pyridin-2-one.
What is the SMILES notation for 4-(2-methylsulfonylpyrimidin-4-yl)-1H-pyridin-2-one?
The canonical SMILES for 4-(2-methylsulfonylpyrimidin-4-yl)-1H-pyridin-2-one is CS(=O)(=O)c1nccc(-c2cc[nH]c(=O)c2)n1.
What is the InChIKey of 4-(2-methylsulfonylpyrimidin-4-yl)-1H-pyridin-2-one?
The InChIKey is RAEXTEKKMYSCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3S/c1-17(15,16)10-12-5-3-8(13-10)7-2-4-11-9(14)6-7/h2-6H,1H3,(H,11,14).
What are the key properties of 4-(2-methylsulfonylpyrimidin-4-yl)-1H-pyridin-2-one?
4-(2-methylsulfonylpyrimidin-4-yl)-1H-pyridin-2-one has a molecular weight of 251.27 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylsulfonylpyrimidin-4-yl)-1H-pyridin-2-one is sourced from PubChem (CID 118447094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).