6-oxopyrimidine-1-carboxylic acid

C5H4N2O3 — CID 174785991

IUPAC6-oxopyrimidine-1-carboxylic acid
SMILESO=C(O)n1cnccc1=O
InChIInChI=1S/C5H4N2O3/c8-4-1-2-6-3-7(4)5(9)10/h1-3H,(H,9,10)
InChIKeyUHOFCFDHNCXMLR-UHFFFAOYSA-N
MW140.10 g/mol
LogP-0.23
Rot. Bonds

About 6-oxopyrimidine-1-carboxylic acid

6-oxopyrimidine-1-carboxylic acid (PubChem CID 174785991) has the molecular formula C5H4N2O3 and a molecular weight of 140.10 g/mol. Its IUPAC name is 6-oxopyrimidine-1-carboxylic acid.

Molecular Properties

Compound Name6-oxopyrimidine-1-carboxylic acid
PubChem CID174785991
Molecular FormulaC5H4N2O3
Molecular Weight140.10 g/mol
Exact Mass140.02
IUPAC Name6-oxopyrimidine-1-carboxylic acid
SMILESO=C(O)n1cnccc1=O
InChIInChI=1S/C5H4N2O3/c8-4-1-2-6-3-7(4)5(9)10/h1-3H,(H,9,10)
InChIKeyUHOFCFDHNCXMLR-UHFFFAOYSA-N
XLogP-0.23
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.10
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-oxopyrimidine-1-carboxylic acid 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 6-oxopyrimidine-1-carboxylic acid?
The IUPAC name of 6-oxopyrimidine-1-carboxylic acid (CID 174785991) is 6-oxopyrimidine-1-carboxylic acid.
What is the SMILES notation for 6-oxopyrimidine-1-carboxylic acid?
The canonical SMILES for 6-oxopyrimidine-1-carboxylic acid is O=C(O)n1cnccc1=O.
What is the InChIKey of 6-oxopyrimidine-1-carboxylic acid?
The InChIKey is UHOFCFDHNCXMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2O3/c8-4-1-2-6-3-7(4)5(9)10/h1-3H,(H,9,10).
What are the key properties of 6-oxopyrimidine-1-carboxylic acid?
6-oxopyrimidine-1-carboxylic acid has a molecular weight of 140.10 g/mol, XLogP of -0.23, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxopyrimidine-1-carboxylic acid is sourced from PubChem (CID 174785991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).