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

C7H8N2O3 — CID 580962

IUPAC3-acetyl-5-methyl-1H-pyrimidine-2,4-dione
SMILESCC(=O)n1c(=O)[nH]cc(C)c1=O
InChIInChI=1S/C7H8N2O3/c1-4-3-8-7(12)9(5(2)10)6(4)11/h3H,1-2H3,(H,8,12)
InChIKeyKZEVIEQFDCABBM-UHFFFAOYSA-N
MW168.15 g/mol
LogP-0.49
Rot. Bonds

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

3-acetyl-5-methyl-1H-pyrimidine-2,4-dione (PubChem CID 580962) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is 3-acetyl-5-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-acetyl-5-methyl-1H-pyrimidine-2,4-dione
PubChem CID580962
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Name3-acetyl-5-methyl-1H-pyrimidine-2,4-dione
SMILESCC(=O)n1c(=O)[nH]cc(C)c1=O
InChIInChI=1S/C7H8N2O3/c1-4-3-8-7(12)9(5(2)10)6(4)11/h3H,1-2H3,(H,8,12)
InChIKeyKZEVIEQFDCABBM-UHFFFAOYSA-N
XLogP-0.49
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-5-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-acetyl-5-methyl-1H-pyrimidine-2,4-dione (CID 580962) is 3-acetyl-5-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-acetyl-5-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-acetyl-5-methyl-1H-pyrimidine-2,4-dione is CC(=O)n1c(=O)[nH]cc(C)c1=O.
What is the InChIKey of 3-acetyl-5-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is KZEVIEQFDCABBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c1-4-3-8-7(12)9(5(2)10)6(4)11/h3H,1-2H3,(H,8,12).
What are the key properties of 3-acetyl-5-methyl-1H-pyrimidine-2,4-dione?
3-acetyl-5-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 168.15 g/mol, XLogP of -0.49, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-5-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 580962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).