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

C10H16N2O4S — CID 79375359

IUPAC3-(2-ethylsulfonylethyl)-2-methoxy-6-methylpyrimidin-4-one
SMILESCCS(=O)(=O)CCn1c(OC)nc(C)cc1=O
InChIInChI=1S/C10H16N2O4S/c1-4-17(14,15)6-5-12-9(13)7-8(2)11-10(12)16-3/h7H,4-6H2,1-3H3
InChIKeyXHXKKSBLWOSVPP-UHFFFAOYSA-N
MW260.31 g/mol
LogP-0.00
Rot. Bonds5

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

3-(2-ethylsulfonylethyl)-2-methoxy-6-methylpyrimidin-4-one (PubChem CID 79375359) has the molecular formula C10H16N2O4S and a molecular weight of 260.31 g/mol. Its IUPAC name is 3-(2-ethylsulfonylethyl)-2-methoxy-6-methylpyrimidin-4-one.

Molecular Properties

Compound Name3-(2-ethylsulfonylethyl)-2-methoxy-6-methylpyrimidin-4-one
PubChem CID79375359
Molecular FormulaC10H16N2O4S
Molecular Weight260.31 g/mol
Exact Mass260.08
IUPAC Name3-(2-ethylsulfonylethyl)-2-methoxy-6-methylpyrimidin-4-one
SMILESCCS(=O)(=O)CCn1c(OC)nc(C)cc1=O
InChIInChI=1S/C10H16N2O4S/c1-4-17(14,15)6-5-12-9(13)7-8(2)11-10(12)16-3/h7H,4-6H2,1-3H3
InChIKeyXHXKKSBLWOSVPP-UHFFFAOYSA-N
XLogP-0.00
TPSA78.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 5-0.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylsulfonylethyl)-2-methoxy-6-methylpyrimidin-4-one?
The IUPAC name of 3-(2-ethylsulfonylethyl)-2-methoxy-6-methylpyrimidin-4-one (CID 79375359) is 3-(2-ethylsulfonylethyl)-2-methoxy-6-methylpyrimidin-4-one.
What is the SMILES notation for 3-(2-ethylsulfonylethyl)-2-methoxy-6-methylpyrimidin-4-one?
The canonical SMILES for 3-(2-ethylsulfonylethyl)-2-methoxy-6-methylpyrimidin-4-one is CCS(=O)(=O)CCn1c(OC)nc(C)cc1=O.
What is the InChIKey of 3-(2-ethylsulfonylethyl)-2-methoxy-6-methylpyrimidin-4-one?
The InChIKey is XHXKKSBLWOSVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4S/c1-4-17(14,15)6-5-12-9(13)7-8(2)11-10(12)16-3/h7H,4-6H2,1-3H3.
What are the key properties of 3-(2-ethylsulfonylethyl)-2-methoxy-6-methylpyrimidin-4-one?
3-(2-ethylsulfonylethyl)-2-methoxy-6-methylpyrimidin-4-one has a molecular weight of 260.31 g/mol, XLogP of -0.00, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylsulfonylethyl)-2-methoxy-6-methylpyrimidin-4-one is sourced from PubChem (CID 79375359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).