6-chloro-2-ethyl-3-(2-propylsulfonylethyl)pyrimidin-4-one

C11H17ClN2O3S — CID 106728653

IUPAC6-chloro-2-ethyl-3-(2-propylsulfonylethyl)pyrimidin-4-one
SMILESCCCS(=O)(=O)CCn1c(CC)nc(Cl)cc1=O
InChIInChI=1S/C11H17ClN2O3S/c1-3-6-18(16,17)7-5-14-10(4-2)13-9(12)8-11(14)15/h8H,3-7H2,1-2H3
InChIKeyQEJQUYQOKYHIBB-UHFFFAOYSA-N
MW292.79 g/mol
LogP1.28
Rot. Bonds6

About 6-chloro-2-ethyl-3-(2-propylsulfonylethyl)pyrimidin-4-one

6-chloro-2-ethyl-3-(2-propylsulfonylethyl)pyrimidin-4-one (PubChem CID 106728653) has the molecular formula C11H17ClN2O3S and a molecular weight of 292.79 g/mol. Its IUPAC name is 6-chloro-2-ethyl-3-(2-propylsulfonylethyl)pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-2-ethyl-3-(2-propylsulfonylethyl)pyrimidin-4-one
PubChem CID106728653
Molecular FormulaC11H17ClN2O3S
Molecular Weight292.79 g/mol
Exact Mass292.06
IUPAC Name6-chloro-2-ethyl-3-(2-propylsulfonylethyl)pyrimidin-4-one
SMILESCCCS(=O)(=O)CCn1c(CC)nc(Cl)cc1=O
InChIInChI=1S/C11H17ClN2O3S/c1-3-6-18(16,17)7-5-14-10(4-2)13-9(12)8-11(14)15/h8H,3-7H2,1-2H3
InChIKeyQEJQUYQOKYHIBB-UHFFFAOYSA-N
XLogP1.28
TPSA69.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
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
3-(2-Tert-butylsulfonylethyl)-6-chloro-2-propan-2-ylpyrimidin-4-one
CID 106728658
6-Chloro-3-(3-ethylsulfonylpropyl)-2-propan-2-ylpyrimidin-4-one
CID 113604614

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethyl-3-(2-propylsulfonylethyl)pyrimidin-4-one?
The IUPAC name of 6-chloro-2-ethyl-3-(2-propylsulfonylethyl)pyrimidin-4-one (CID 106728653) is 6-chloro-2-ethyl-3-(2-propylsulfonylethyl)pyrimidin-4-one.
What is the SMILES notation for 6-chloro-2-ethyl-3-(2-propylsulfonylethyl)pyrimidin-4-one?
The canonical SMILES for 6-chloro-2-ethyl-3-(2-propylsulfonylethyl)pyrimidin-4-one is CCCS(=O)(=O)CCn1c(CC)nc(Cl)cc1=O.
What is the InChIKey of 6-chloro-2-ethyl-3-(2-propylsulfonylethyl)pyrimidin-4-one?
The InChIKey is QEJQUYQOKYHIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O3S/c1-3-6-18(16,17)7-5-14-10(4-2)13-9(12)8-11(14)15/h8H,3-7H2,1-2H3.
What are the key properties of 6-chloro-2-ethyl-3-(2-propylsulfonylethyl)pyrimidin-4-one?
6-chloro-2-ethyl-3-(2-propylsulfonylethyl)pyrimidin-4-one has a molecular weight of 292.79 g/mol, XLogP of 1.28, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethyl-3-(2-propylsulfonylethyl)pyrimidin-4-one is sourced from PubChem (CID 106728653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).