Barbituric acid (C4H4N2O3)

Barbituric Acid presents a C4 framework, an amide (formula C4H4N2O3, CAS 67-52-7). ChemicalHelper Reaction can propose ranked disconnections for Barbituric Acid from the SMILES O=C1CC(=O)NC(=O)N1.

Target: Barbituric acid
CAS: 67-52-7
Formula: C4H4N2O3
Approx. MW: 128.09
SMILES: O=C1CC(=O)NC(=O)N1
PubChem CID: 6211
Approx. carbons: C4

Barbituric acid structure

Properties

IUPAC name: 1,3-diazinane-2,4,6-trione
Common names: BARBITURIC ACID; 67-52-7; Malonylurea; Pyrimidinetrione; 2,4,6(1H,3H,5H)-Pyrimidinetrione; pyrimidine-2,4,6(1H,3H,5H)-trione; Pyrimidinetriol; 2,4,6-Trioxohexahydropyrimidine; Barbiturate; DTXSID8020129
Molecular weight: 128.09
Exact mass: 128.02
InChIKey: HNYOPLTXPVRDBG-UHFFFAOYSA-N
Melting point: 248 °C

View on PubChem

Barbituric acid 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Barbituric acid?

Barbituric acid has molecular formula C4H4N2O3. Molecular weight about 128.09 g·mol⁻¹.

What is the CAS number of Barbituric acid?

The CAS Registry Number for Barbituric acid is 67-52-7.

Run AI retrosynthesis for Barbituric acid Target catalog AI tools overview

Start from this SMILES and explore AI retrosynthesis routes for C4H4N2O3.

Related targets

Similar compounds

1-Methylhydantoin 5-Methylhydantoin allantoin dihydrouracil Maleimide Methylguanidineacetic acid

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References & tools

ChemicalHelper Reaction — AI retrosynthesis with optional library evidence.
PubChem — compound identifiers and structure depictions (NIH/NCBI).
Related: AiZynthFinder / synthesis planning literature for computer-aided retrosynthesis.