6-chloro-3-(3-ethylsulfonylpropyl)-2-methylpyrimidin-4-one

C10H15ClN2O3S — CID 114581794

IUPAC6-chloro-3-(3-ethylsulfonylpropyl)-2-methylpyrimidin-4-one
SMILESCCS(=O)(=O)CCCn1c(C)nc(Cl)cc1=O
InChIInChI=1S/C10H15ClN2O3S/c1-3-17(15,16)6-4-5-13-8(2)12-9(11)7-10(13)14/h7H,3-6H2,1-2H3
InChIKeyZZZHKQRANHKLCX-UHFFFAOYSA-N
MW278.76 g/mol
LogP1.03
Rot. Bonds5

About 6-chloro-3-(3-ethylsulfonylpropyl)-2-methylpyrimidin-4-one

6-chloro-3-(3-ethylsulfonylpropyl)-2-methylpyrimidin-4-one (PubChem CID 114581794) has the molecular formula C10H15ClN2O3S and a molecular weight of 278.76 g/mol. Its IUPAC name is 6-chloro-3-(3-ethylsulfonylpropyl)-2-methylpyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-(3-ethylsulfonylpropyl)-2-methylpyrimidin-4-one
PubChem CID114581794
Molecular FormulaC10H15ClN2O3S
Molecular Weight278.76 g/mol
Exact Mass278.05
IUPAC Name6-chloro-3-(3-ethylsulfonylpropyl)-2-methylpyrimidin-4-one
SMILESCCS(=O)(=O)CCCn1c(C)nc(Cl)cc1=O
InChIInChI=1S/C10H15ClN2O3S/c1-3-17(15,16)6-4-5-13-8(2)12-9(11)7-10(13)14/h7H,3-6H2,1-2H3
InChIKeyZZZHKQRANHKLCX-UHFFFAOYSA-N
XLogP1.03
TPSA69.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.76
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-chloro-3-(3-ethylsulfonylpropyl)-2-methylpyrimidin-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

Related Compounds

3-(3-Ethylsulfonylpropyl)-5-iodo-2-methylpyrimidin-4-one
CID 66339820
6-Chloro-2-methyl-3-(2-propan-2-ylsulfonylethyl)pyrimidin-4-one
CID 106728637
6-Chloro-2-methyl-3-(2-propylsulfonylethyl)pyrimidin-4-one
CID 106728638
3-(2-Tert-butylsulfonylethyl)-6-chloro-2-methylpyrimidin-4-one
CID 106728639
6-Chloro-3-(2-propan-2-ylsulfonylethyl)pyrimidin-4-one
CID 106728640
6-Chloro-3-(2-propylsulfonylethyl)pyrimidin-4-one
CID 106728641
3-(2-Tert-butylsulfonylethyl)-6-chloropyrimidin-4-one
CID 106728642
6-Chloro-2-ethyl-3-(2-propylsulfonylethyl)pyrimidin-4-one
CID 106728653
3-(2-Tert-butylsulfonylethyl)-6-chloro-2-ethylpyrimidin-4-one
CID 106728654
6-Chloro-2-cyclopropyl-3-(2-propylsulfonylethyl)pyrimidin-4-one
CID 106728655
3-(2-Tert-butylsulfonylethyl)-6-chloro-2-cyclopropylpyrimidin-4-one
CID 106728656
6-Chloro-2-propan-2-yl-3-(2-propan-2-ylsulfonylethyl)pyrimidin-4-one
CID 106728657

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(3-ethylsulfonylpropyl)-2-methylpyrimidin-4-one?
The IUPAC name of 6-chloro-3-(3-ethylsulfonylpropyl)-2-methylpyrimidin-4-one (CID 114581794) is 6-chloro-3-(3-ethylsulfonylpropyl)-2-methylpyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-(3-ethylsulfonylpropyl)-2-methylpyrimidin-4-one?
The canonical SMILES for 6-chloro-3-(3-ethylsulfonylpropyl)-2-methylpyrimidin-4-one is CCS(=O)(=O)CCCn1c(C)nc(Cl)cc1=O.
What is the InChIKey of 6-chloro-3-(3-ethylsulfonylpropyl)-2-methylpyrimidin-4-one?
The InChIKey is ZZZHKQRANHKLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O3S/c1-3-17(15,16)6-4-5-13-8(2)12-9(11)7-10(13)14/h7H,3-6H2,1-2H3.
What are the key properties of 6-chloro-3-(3-ethylsulfonylpropyl)-2-methylpyrimidin-4-one?
6-chloro-3-(3-ethylsulfonylpropyl)-2-methylpyrimidin-4-one has a molecular weight of 278.76 g/mol, XLogP of 1.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(3-ethylsulfonylpropyl)-2-methylpyrimidin-4-one is sourced from PubChem (CID 114581794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).