5-acetyl-3-methyl-1H-pyrimidine-2,4-dione

C7H8N2O3 — CID 71755660

IUPAC5-acetyl-3-methyl-1H-pyrimidine-2,4-dione
SMILESCC(=O)c1c[nH]c(=O)n(C)c1=O
InChIInChI=1S/C7H8N2O3/c1-4(10)5-3-8-7(12)9(2)6(5)11/h3H,1-2H3,(H,8,12)
InChIKeyXPMBJDVXFAFVRP-UHFFFAOYSA-N
MW168.15 g/mol
LogP-0.72
Rot. Bonds1

About 5-acetyl-3-methyl-1H-pyrimidine-2,4-dione

5-acetyl-3-methyl-1H-pyrimidine-2,4-dione (PubChem CID 71755660) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is 5-acetyl-3-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-acetyl-3-methyl-1H-pyrimidine-2,4-dione
PubChem CID71755660
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Name5-acetyl-3-methyl-1H-pyrimidine-2,4-dione
SMILESCC(=O)c1c[nH]c(=O)n(C)c1=O
InChIInChI=1S/C7H8N2O3/c1-4(10)5-3-8-7(12)9(2)6(5)11/h3H,1-2H3,(H,8,12)
InChIKeyXPMBJDVXFAFVRP-UHFFFAOYSA-N
XLogP-0.72
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-acetyl-3-methyl-1H-pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-3-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-acetyl-3-methyl-1H-pyrimidine-2,4-dione (CID 71755660) is 5-acetyl-3-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-acetyl-3-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-acetyl-3-methyl-1H-pyrimidine-2,4-dione is CC(=O)c1c[nH]c(=O)n(C)c1=O.
What is the InChIKey of 5-acetyl-3-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is XPMBJDVXFAFVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c1-4(10)5-3-8-7(12)9(2)6(5)11/h3H,1-2H3,(H,8,12).
What are the key properties of 5-acetyl-3-methyl-1H-pyrimidine-2,4-dione?
5-acetyl-3-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 168.15 g/mol, XLogP of -0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-3-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 71755660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).