6-chloro-3-(2-methylsulfonylethyl)pyrimidin-4-one

C7H9ClN2O3S — CID 114582156

IUPAC6-chloro-3-(2-methylsulfonylethyl)pyrimidin-4-one
SMILESCS(=O)(=O)CCn1cnc(Cl)cc1=O
InChIInChI=1S/C7H9ClN2O3S/c1-14(12,13)3-2-10-5-9-6(8)4-7(10)11/h4-5H,2-3H2,1H3
InChIKeyGYMLEJSSXJYVIM-UHFFFAOYSA-N
MW236.68 g/mol
LogP-0.06
Rot. Bonds3

About 6-chloro-3-(2-methylsulfonylethyl)pyrimidin-4-one

6-chloro-3-(2-methylsulfonylethyl)pyrimidin-4-one (PubChem CID 114582156) has the molecular formula C7H9ClN2O3S and a molecular weight of 236.68 g/mol. Its IUPAC name is 6-chloro-3-(2-methylsulfonylethyl)pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-(2-methylsulfonylethyl)pyrimidin-4-one
PubChem CID114582156
Molecular FormulaC7H9ClN2O3S
Molecular Weight236.68 g/mol
Exact Mass236.00
IUPAC Name6-chloro-3-(2-methylsulfonylethyl)pyrimidin-4-one
SMILESCS(=O)(=O)CCn1cnc(Cl)cc1=O
InChIInChI=1S/C7H9ClN2O3S/c1-14(12,13)3-2-10-5-9-6(8)4-7(10)11/h4-5H,2-3H2,1H3
InChIKeyGYMLEJSSXJYVIM-UHFFFAOYSA-N
XLogP-0.06
TPSA69.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.68
LogP ≤ 5-0.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-chloro-3-(2-methylsulfonylethyl)pyrimidin-4-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(2-methylsulfonylethyl)pyrimidin-4-one?
The IUPAC name of 6-chloro-3-(2-methylsulfonylethyl)pyrimidin-4-one (CID 114582156) is 6-chloro-3-(2-methylsulfonylethyl)pyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-(2-methylsulfonylethyl)pyrimidin-4-one?
The canonical SMILES for 6-chloro-3-(2-methylsulfonylethyl)pyrimidin-4-one is CS(=O)(=O)CCn1cnc(Cl)cc1=O.
What is the InChIKey of 6-chloro-3-(2-methylsulfonylethyl)pyrimidin-4-one?
The InChIKey is GYMLEJSSXJYVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O3S/c1-14(12,13)3-2-10-5-9-6(8)4-7(10)11/h4-5H,2-3H2,1H3.
What are the key properties of 6-chloro-3-(2-methylsulfonylethyl)pyrimidin-4-one?
6-chloro-3-(2-methylsulfonylethyl)pyrimidin-4-one has a molecular weight of 236.68 g/mol, XLogP of -0.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(2-methylsulfonylethyl)pyrimidin-4-one is sourced from PubChem (CID 114582156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).