1-acetyl-4-aminopyrimidin-2-one

C6H7N3O2 — CID 22051989

IUPAC1-acetyl-4-aminopyrimidin-2-one
SMILESCC(=O)n1ccc(N)nc1=O
InChIInChI=1S/C6H7N3O2/c1-4(10)9-3-2-5(7)8-6(9)11/h2-3H,1H3,(H2,7,8,11)
InChIKeyPJXVQPWEQYWHRL-UHFFFAOYSA-N
MW153.14 g/mol
LogP-0.51
Rot. Bonds

About 1-acetyl-4-aminopyrimidin-2-one

1-acetyl-4-aminopyrimidin-2-one (PubChem CID 22051989) has the molecular formula C6H7N3O2 and a molecular weight of 153.14 g/mol. Its IUPAC name is 1-acetyl-4-aminopyrimidin-2-one.

Molecular Properties

Compound Name1-acetyl-4-aminopyrimidin-2-one
PubChem CID22051989
Molecular FormulaC6H7N3O2
Molecular Weight153.14 g/mol
Exact Mass153.05
IUPAC Name1-acetyl-4-aminopyrimidin-2-one
SMILESCC(=O)n1ccc(N)nc1=O
InChIInChI=1S/C6H7N3O2/c1-4(10)9-3-2-5(7)8-6(9)11/h2-3H,1H3,(H2,7,8,11)
InChIKeyPJXVQPWEQYWHRL-UHFFFAOYSA-N
XLogP-0.51
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-acetyl-4-aminopyrimidin-2-one 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 1-acetyl-4-aminopyrimidin-2-one?
The IUPAC name of 1-acetyl-4-aminopyrimidin-2-one (CID 22051989) is 1-acetyl-4-aminopyrimidin-2-one.
What is the SMILES notation for 1-acetyl-4-aminopyrimidin-2-one?
The canonical SMILES for 1-acetyl-4-aminopyrimidin-2-one is CC(=O)n1ccc(N)nc1=O.
What is the InChIKey of 1-acetyl-4-aminopyrimidin-2-one?
The InChIKey is PJXVQPWEQYWHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O2/c1-4(10)9-3-2-5(7)8-6(9)11/h2-3H,1H3,(H2,7,8,11).
What are the key properties of 1-acetyl-4-aminopyrimidin-2-one?
1-acetyl-4-aminopyrimidin-2-one has a molecular weight of 153.14 g/mol, XLogP of -0.51, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-4-aminopyrimidin-2-one is sourced from PubChem (CID 22051989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).