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

C11H18N2O4S — CID 79376294

IUPAC3-(3-ethylsulfonylpropyl)-2-methoxy-6-methylpyrimidin-4-one
SMILESCCS(=O)(=O)CCCn1c(OC)nc(C)cc1=O
InChIInChI=1S/C11H18N2O4S/c1-4-18(15,16)7-5-6-13-10(14)8-9(2)12-11(13)17-3/h8H,4-7H2,1-3H3
InChIKeyWNJJSQVALQPGKC-UHFFFAOYSA-N
MW274.34 g/mol
LogP0.39
Rot. Bonds6

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

3-(3-ethylsulfonylpropyl)-2-methoxy-6-methylpyrimidin-4-one (PubChem CID 79376294) has the molecular formula C11H18N2O4S and a molecular weight of 274.34 g/mol. Its IUPAC name is 3-(3-ethylsulfonylpropyl)-2-methoxy-6-methylpyrimidin-4-one.

Molecular Properties

Compound Name3-(3-ethylsulfonylpropyl)-2-methoxy-6-methylpyrimidin-4-one
PubChem CID79376294
Molecular FormulaC11H18N2O4S
Molecular Weight274.34 g/mol
Exact Mass274.10
IUPAC Name3-(3-ethylsulfonylpropyl)-2-methoxy-6-methylpyrimidin-4-one
SMILESCCS(=O)(=O)CCCn1c(OC)nc(C)cc1=O
InChIInChI=1S/C11H18N2O4S/c1-4-18(15,16)7-5-6-13-10(14)8-9(2)12-11(13)17-3/h8H,4-7H2,1-3H3
InChIKeyWNJJSQVALQPGKC-UHFFFAOYSA-N
XLogP0.39
TPSA78.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-Methyl-3-(2-methylsulfonylethyl)pyrimidin-4-one
CID 178677215
N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide
CID 8263742
N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide
CID 8263746
2-Methoxy-6-methyl-3-[2-(2-methylsulfonylethylamino)ethyl]pyrimidin-4-one
CID 79374049
3-[2-[(1,1-Dioxothiolan-3-yl)amino]ethyl]-2-methoxy-6-methylpyrimidin-4-one
CID 79374696
3-(2-Ethylsulfonylethyl)-2-methoxy-6-methylpyrimidin-4-one
CID 79375359
2-Methoxy-6-methyl-3-(3-methylsulfonylpropyl)pyrimidin-4-one
CID 79376024
2-Methoxy-6-methyl-3-(2-methylsulfonylethyl)pyrimidin-4-one
CID 79376393
3-(3-Ethylsulfanylpropyl)-6-methylpyrimidin-4-one
CID 103867560
3-(3-Ethylsulfanylpropyl)-2-methoxy-6-methylpyrimidin-4-one
CID 104863743
2-Methoxy-6-methyl-3-(3-methylsulfanylpropyl)pyrimidin-4-one
CID 104863744
2-Methoxy-6-methyl-3-(2-propylsulfonylethyl)pyrimidin-4-one
CID 106731590

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylsulfonylpropyl)-2-methoxy-6-methylpyrimidin-4-one?
The IUPAC name of 3-(3-ethylsulfonylpropyl)-2-methoxy-6-methylpyrimidin-4-one (CID 79376294) is 3-(3-ethylsulfonylpropyl)-2-methoxy-6-methylpyrimidin-4-one.
What is the SMILES notation for 3-(3-ethylsulfonylpropyl)-2-methoxy-6-methylpyrimidin-4-one?
The canonical SMILES for 3-(3-ethylsulfonylpropyl)-2-methoxy-6-methylpyrimidin-4-one is CCS(=O)(=O)CCCn1c(OC)nc(C)cc1=O.
What is the InChIKey of 3-(3-ethylsulfonylpropyl)-2-methoxy-6-methylpyrimidin-4-one?
The InChIKey is WNJJSQVALQPGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S/c1-4-18(15,16)7-5-6-13-10(14)8-9(2)12-11(13)17-3/h8H,4-7H2,1-3H3.
What are the key properties of 3-(3-ethylsulfonylpropyl)-2-methoxy-6-methylpyrimidin-4-one?
3-(3-ethylsulfonylpropyl)-2-methoxy-6-methylpyrimidin-4-one has a molecular weight of 274.34 g/mol, XLogP of 0.39, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylsulfonylpropyl)-2-methoxy-6-methylpyrimidin-4-one is sourced from PubChem (CID 79376294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).