2-methoxy-6-methyl-3-(2-methylsulfonylethyl)pyrimidin-4-one

C9H14N2O4S — CID 79376393

IUPAC2-methoxy-6-methyl-3-(2-methylsulfonylethyl)pyrimidin-4-one
SMILESCOc1nc(C)cc(=O)n1CCS(C)(=O)=O
InChIInChI=1S/C9H14N2O4S/c1-7-6-8(12)11(9(10-7)15-2)4-5-16(3,13)14/h6H,4-5H2,1-3H3
InChIKeyMYISXJCDFPRMLB-UHFFFAOYSA-N
MW246.29 g/mol
LogP-0.40
Rot. Bonds4

About 2-methoxy-6-methyl-3-(2-methylsulfonylethyl)pyrimidin-4-one

2-methoxy-6-methyl-3-(2-methylsulfonylethyl)pyrimidin-4-one (PubChem CID 79376393) has the molecular formula C9H14N2O4S and a molecular weight of 246.29 g/mol. Its IUPAC name is 2-methoxy-6-methyl-3-(2-methylsulfonylethyl)pyrimidin-4-one.

Molecular Properties

Compound Name2-methoxy-6-methyl-3-(2-methylsulfonylethyl)pyrimidin-4-one
PubChem CID79376393
Molecular FormulaC9H14N2O4S
Molecular Weight246.29 g/mol
Exact Mass246.07
IUPAC Name2-methoxy-6-methyl-3-(2-methylsulfonylethyl)pyrimidin-4-one
SMILESCOc1nc(C)cc(=O)n1CCS(C)(=O)=O
InChIInChI=1S/C9H14N2O4S/c1-7-6-8(12)11(9(10-7)15-2)4-5-16(3,13)14/h6H,4-5H2,1-3H3
InChIKeyMYISXJCDFPRMLB-UHFFFAOYSA-N
XLogP-0.40
TPSA78.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 5-0.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-methyl-3-(2-methylsulfonylethyl)pyrimidin-4-one?
The IUPAC name of 2-methoxy-6-methyl-3-(2-methylsulfonylethyl)pyrimidin-4-one (CID 79376393) is 2-methoxy-6-methyl-3-(2-methylsulfonylethyl)pyrimidin-4-one.
What is the SMILES notation for 2-methoxy-6-methyl-3-(2-methylsulfonylethyl)pyrimidin-4-one?
The canonical SMILES for 2-methoxy-6-methyl-3-(2-methylsulfonylethyl)pyrimidin-4-one is COc1nc(C)cc(=O)n1CCS(C)(=O)=O.
What is the InChIKey of 2-methoxy-6-methyl-3-(2-methylsulfonylethyl)pyrimidin-4-one?
The InChIKey is MYISXJCDFPRMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4S/c1-7-6-8(12)11(9(10-7)15-2)4-5-16(3,13)14/h6H,4-5H2,1-3H3.
What are the key properties of 2-methoxy-6-methyl-3-(2-methylsulfonylethyl)pyrimidin-4-one?
2-methoxy-6-methyl-3-(2-methylsulfonylethyl)pyrimidin-4-one has a molecular weight of 246.29 g/mol, XLogP of -0.40, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-methyl-3-(2-methylsulfonylethyl)pyrimidin-4-one is sourced from PubChem (CID 79376393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).