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

C9H12N2O3 — CID 107507699

IUPAC3-(3-methoxy-2-oxopropyl)-6-methylpyrimidin-4-one
SMILESCOCC(=O)Cn1cnc(C)cc1=O
InChIInChI=1S/C9H12N2O3/c1-7-3-9(13)11(6-10-7)4-8(12)5-14-2/h3,6H,4-5H2,1-2H3
InChIKeySNGCJLSLISZJLR-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.23
Rot. Bonds4

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

3-(3-methoxy-2-oxopropyl)-6-methylpyrimidin-4-one (PubChem CID 107507699) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 3-(3-methoxy-2-oxopropyl)-6-methylpyrimidin-4-one.

Molecular Properties

Compound Name3-(3-methoxy-2-oxopropyl)-6-methylpyrimidin-4-one
PubChem CID107507699
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name3-(3-methoxy-2-oxopropyl)-6-methylpyrimidin-4-one
SMILESCOCC(=O)Cn1cnc(C)cc1=O
InChIInChI=1S/C9H12N2O3/c1-7-3-9(13)11(6-10-7)4-8(12)5-14-2/h3,6H,4-5H2,1-2H3
InChIKeySNGCJLSLISZJLR-UHFFFAOYSA-N
XLogP-0.23
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-2-oxopropyl)-6-methylpyrimidin-4-one?
The IUPAC name of 3-(3-methoxy-2-oxopropyl)-6-methylpyrimidin-4-one (CID 107507699) is 3-(3-methoxy-2-oxopropyl)-6-methylpyrimidin-4-one.
What is the SMILES notation for 3-(3-methoxy-2-oxopropyl)-6-methylpyrimidin-4-one?
The canonical SMILES for 3-(3-methoxy-2-oxopropyl)-6-methylpyrimidin-4-one is COCC(=O)Cn1cnc(C)cc1=O.
What is the InChIKey of 3-(3-methoxy-2-oxopropyl)-6-methylpyrimidin-4-one?
The InChIKey is SNGCJLSLISZJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-7-3-9(13)11(6-10-7)4-8(12)5-14-2/h3,6H,4-5H2,1-2H3.
What are the key properties of 3-(3-methoxy-2-oxopropyl)-6-methylpyrimidin-4-one?
3-(3-methoxy-2-oxopropyl)-6-methylpyrimidin-4-one has a molecular weight of 196.21 g/mol, XLogP of -0.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-2-oxopropyl)-6-methylpyrimidin-4-one is sourced from PubChem (CID 107507699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).