5-acetyl-3-methylpyrimidin-4-one

C7H8N2O2 — CID 58268764

IUPAC5-acetyl-3-methylpyrimidin-4-one
SMILESCC(=O)c1cncn(C)c1=O
InChIInChI=1S/C7H8N2O2/c1-5(10)6-3-8-4-9(2)7(6)11/h3-4H,1-2H3
InChIKeyLPALJIPOTGEEEE-UHFFFAOYSA-N
MW152.15 g/mol
LogP-0.02
Rot. Bonds1

About 5-acetyl-3-methylpyrimidin-4-one

5-acetyl-3-methylpyrimidin-4-one (PubChem CID 58268764) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is 5-acetyl-3-methylpyrimidin-4-one.

Molecular Properties

Compound Name5-acetyl-3-methylpyrimidin-4-one
PubChem CID58268764
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC Name5-acetyl-3-methylpyrimidin-4-one
SMILESCC(=O)c1cncn(C)c1=O
InChIInChI=1S/C7H8N2O2/c1-5(10)6-3-8-4-9(2)7(6)11/h3-4H,1-2H3
InChIKeyLPALJIPOTGEEEE-UHFFFAOYSA-N
XLogP-0.02
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 5-0.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-3-methylpyrimidin-4-one?
The IUPAC name of 5-acetyl-3-methylpyrimidin-4-one (CID 58268764) is 5-acetyl-3-methylpyrimidin-4-one.
What is the SMILES notation for 5-acetyl-3-methylpyrimidin-4-one?
The canonical SMILES for 5-acetyl-3-methylpyrimidin-4-one is CC(=O)c1cncn(C)c1=O.
What is the InChIKey of 5-acetyl-3-methylpyrimidin-4-one?
The InChIKey is LPALJIPOTGEEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2/c1-5(10)6-3-8-4-9(2)7(6)11/h3-4H,1-2H3.
What are the key properties of 5-acetyl-3-methylpyrimidin-4-one?
5-acetyl-3-methylpyrimidin-4-one has a molecular weight of 152.15 g/mol, XLogP of -0.02, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-3-methylpyrimidin-4-one is sourced from PubChem (CID 58268764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).