6-chloro-3-(3-ethylsulfonylpropyl)-5-methoxypyrimidin-4-one

C10H15ClN2O4S — CID 114585295

IUPAC6-chloro-3-(3-ethylsulfonylpropyl)-5-methoxypyrimidin-4-one
SMILESCCS(=O)(=O)CCCn1cnc(Cl)c(OC)c1=O
InChIInChI=1S/C10H15ClN2O4S/c1-3-18(15,16)6-4-5-13-7-12-9(11)8(17-2)10(13)14/h7H,3-6H2,1-2H3
InChIKeyUWAGABOGGSYNKV-UHFFFAOYSA-N
MW294.76 g/mol
LogP0.73
Rot. Bonds6

About 6-chloro-3-(3-ethylsulfonylpropyl)-5-methoxypyrimidin-4-one

6-chloro-3-(3-ethylsulfonylpropyl)-5-methoxypyrimidin-4-one (PubChem CID 114585295) has the molecular formula C10H15ClN2O4S and a molecular weight of 294.76 g/mol. Its IUPAC name is 6-chloro-3-(3-ethylsulfonylpropyl)-5-methoxypyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-(3-ethylsulfonylpropyl)-5-methoxypyrimidin-4-one
PubChem CID114585295
Molecular FormulaC10H15ClN2O4S
Molecular Weight294.76 g/mol
Exact Mass294.04
IUPAC Name6-chloro-3-(3-ethylsulfonylpropyl)-5-methoxypyrimidin-4-one
SMILESCCS(=O)(=O)CCCn1cnc(Cl)c(OC)c1=O
InChIInChI=1S/C10H15ClN2O4S/c1-3-18(15,16)6-4-5-13-7-12-9(11)8(17-2)10(13)14/h7H,3-6H2,1-2H3
InChIKeyUWAGABOGGSYNKV-UHFFFAOYSA-N
XLogP0.73
TPSA78.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.76
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(3-ethylsulfonylpropyl)-5-methoxypyrimidin-4-one?
The IUPAC name of 6-chloro-3-(3-ethylsulfonylpropyl)-5-methoxypyrimidin-4-one (CID 114585295) is 6-chloro-3-(3-ethylsulfonylpropyl)-5-methoxypyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-(3-ethylsulfonylpropyl)-5-methoxypyrimidin-4-one?
The canonical SMILES for 6-chloro-3-(3-ethylsulfonylpropyl)-5-methoxypyrimidin-4-one is CCS(=O)(=O)CCCn1cnc(Cl)c(OC)c1=O.
What is the InChIKey of 6-chloro-3-(3-ethylsulfonylpropyl)-5-methoxypyrimidin-4-one?
The InChIKey is UWAGABOGGSYNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O4S/c1-3-18(15,16)6-4-5-13-7-12-9(11)8(17-2)10(13)14/h7H,3-6H2,1-2H3.
What are the key properties of 6-chloro-3-(3-ethylsulfonylpropyl)-5-methoxypyrimidin-4-one?
6-chloro-3-(3-ethylsulfonylpropyl)-5-methoxypyrimidin-4-one has a molecular weight of 294.76 g/mol, XLogP of 0.73, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(3-ethylsulfonylpropyl)-5-methoxypyrimidin-4-one is sourced from PubChem (CID 114585295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).