Compound: BARBITURIC ACID
SMILES: O=C1NC(=O)CC(N1)=O
InChIKey: HNYOPLTXPVRDBG-UHFFFAOYSA-N
Synonyms: 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, CHEBI:16294, WQ92Y2793G, NSC-7889, DTXCID20129, 4,6-dihydroxy-2,5-dihydropyrimidin-2-one, CHEBI:29745, RefChem:116475, CHEBI:22693, 200-658-0, 6-Hydroxyuracil, 1,3-diazinane-2,4,6-trione, 2,4,6-Trihydroxypyrimidine, 2,4,6-Pyrimidinetrione, Hexahydropyrimidine-2,4,6-trione, Malonylharnstoff, Barbitursaeure, Barbituric acid (VAN), Hydrouracil, 6-hydroxy-, MFCD00006666, 2,4,6-Pyrimidinetrione(1H,3H,5H), Urea, N,N'-(1,3-dioxo-1,3-propanediyl)-, 1,2,3,4,5,6-Hexahydro-2,4,6-pyrimidinetrione, NSC 7889, 1,3,5-trihydropyrimidine-2,4,6-trione, EINECS 200-658-0, Fluorouracil EP Impurity A, barbituric, Barbitursaure, UNII-WQ92Y2793G, AI3-02724, pyrimidine-2, Barbituric acid (VAN) (8CI), BR8, 2,6-Pyrimidinetriol, 2,4,6-(1H,3H,5H)-Pyrimidinetrione, 2,6-Trihydroxypyrimidine, bmse000346, Epitope ID:120355, EC 200-658-0, Fluorouracil impurity A CRS, SCHEMBL38707, SCHEMBL45717, BARBITURIC ACID [MI], 2,6-Trioxohexahydropyrimidine, SCHEMBL438738, SCHEMBL438739, SCHEMBL962989, 2-hydroxypyrimidine-4,6-dione, orb3029109, orb3141433, SCHEMBL9941322, NSC7889, 2,6(1H,3H,5H)-Pyrimidinetrione, Tox21_200924, BBL036209, SBB004242, STK317809, STL451498, 2,6-(1H,3H,5H)-Pyrimidinetrione, AKOS000288853, AKOS024255606, 2,4,6-(1H,3H,5H)pyrimidinetrione, BS-3763, CS-W018516, Barbituric acid, ReagentPlus(R), 99%, CAS-67-52-7, 2-hydroxypyrimidine-4,6(1H,5H)-dione, NCGC00248877-01, NCGC00258478-01, NN'-(1,3-dioxo-1,3-propanediyl)-Urea, Urea,N'-(1,3-dioxo-1,3-propanediyl)-, N,N'-(1,3-Dioxo-1,3-propanediyl)-Urea, B0003, FLUOROURACIL IMPURITY A [EP IMPURITY], NS00009292, ST45058789, EN300-19230, C00813, Barbituric Acid(Discontinued,See C4X-164915), Q410278, 2,4,6(1H,3H,5H)-Pyrimidinetrione (ACD/Name 4.0), F0001-1773, Z104473234, 4A0BDFFD-9542-4996-A89F-E5A55D03B250, Barbituric acid, for spectrophotometric det. of cyanide, >=99.5%, Fluorouracil impurity A, European Pharmacopoeia (EP) Reference Standard, InChI=1/C4H4N2O3/c7-2-1-3(8)6-4(9)5-2/h1H2,(H2,5,6,7,8,9
Theoretical properties:
molecular_formula: C4H4N2O3
molecular_weight: 128.09 g/mol
exact_mass: 128.02219199 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 0
heavy_atom_count: 9
topological_polar_surface_area: 75.3 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
melting_point: 248 °C
solubility: 1.9e-05 mg/mL at 37 °C
Descriptions:
pubchem: Barbituric acid is a barbiturate, the structure of which is that of perhydropyrimidine substituted at C-2, -4 and -6 by oxo groups. Barbituric acid is the parent compound of barbiturate drugs, although it is not itself pharmacologically active. It has a role as a xenobiotic and an allergen. It is a conjugate acid of a barbiturate, a barbiturate(2-) and a barbiturate(1-).
chebi: A barbiturate, the structure of which is that of perhydropyrimidine substituted at C-2, -4 and -6 by oxo groups.  Barbituric acid is the parent compound of barbiturate drugs, although it is not itself pharmacologically active.
chembl: BARBITURIC ACID is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Barbituric acid or malonylurea or 6-hydroxyuracil is an organic compound based on a pyrimidine heterocyclic skeleton. It is an odorless powder soluble in water. Barbituric acid is the parent compound of barbiturate drugs, although barbituric acid itself is not pharmacologically active. The compound was first synthesised by Adolf von Baeyer.