1.0 2016-05-19 04:15:14 UTC 2026-08-22 16:54:59 UTC Barbituric acid SmallMolecule Barbituric acid is an organic compound with the chemical formula C4H4N2O3 and an average molecular weight of 128.09 g/mol. Barbituric acid belongs to the pyrimidines and pyrimidine derivatives, a subclass of diazines within the organic compounds. It is further categorized under the superclass of organoheterocyclic compounds. The compound is found in or released from 27 recorded sources. Within the category of electrical and electronic equipment, it is associated with antennas, coils, conductors or conductive bodies characterised by the conductive materials, discharge lamps, and electric hearing aids, among 8 other sources. In household cleaning and consumer products, it appears in bleaching agents, cigar cigarettes, non electric simulated smoking devices, other smoking requisites, and perfumes within detergents and soaps, among 2 others. Regarding food, food processing and cookware, the compound is linked to fermentation processes for beer, food preservation, the preparation of malt, the preparation of vinegar, and the preparation of wine or sparkling wine, among 1 other source. Additionally, barbituric acid is found in drinking water and water supply. The recorded exposure route for this compound is oral. 2,4,6(1H,3H,5H)-Pyrimidinetrione C4H4N2O3 128.0862 128.022192004 4,6-dihydroxy-2,5-dihydropyrimidin-2-one barbituric acid 67-52-7 OC1=NC(=O)N=C(O)C1 InChI=1S/C4H4N2O3/c7-2-1-3(8)6-4(9)5-2/h1H2,(H2,5,6,7,8,9) HNYOPLTXPVRDBG-UHFFFAOYSA-N Organic compounds Organoheterocyclic compounds Diazines Pyrimidines and pyrimidine derivatives Pyrimidones Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Hydropyrimidines Organic carbonic acids and derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Propargyl-type 1,3-dipolar organic compounds 2,5-dihydropyrimidine Aliphatic heteromonocyclic compound Azacycle Carbonic acid derivative Carbonyl group Hydrocarbon derivative Hydropyrimidine Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Propargyl-type 1,3-dipolar organic compound Pyrimidone Aliphatic heteromonocyclic compounds barbiturates Detected and Not Quantified logp -1.5 logp -0.61 ALOGPS logs -1.50 ALOGPS solubility 4.04e+00 g/l ALOGPS logp -0.54 ChemAxon pka_strongest_acidic 5.45 ChemAxon pka_strongest_basic -4.5 ChemAxon iupac 4,6-dihydroxy-2,5-dihydropyrimidin-2-one ChemAxon average_mass 128.0862 ChemAxon mono_mass 128.022192004 ChemAxon smiles OC1=NC(=O)N=C(O)C1 ChemAxon formula C4H4N2O3 ChemAxon inchi InChI=1S/C4H4N2O3/c7-2-1-3(8)6-4(9)5-2/h1H2,(H2,5,6,7,8,9) ChemAxon inchikey HNYOPLTXPVRDBG-UHFFFAOYSA-N ChemAxon polar_surface_area 82.25 ChemAxon refractivity 26.62 ChemAxon polarizability 10.28 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7223f8a510> 6211 5976