chempirical

1,2,3,4-Tetrahydro-2,4-dioxo-5-pyrimidinecarboxylic acid

C5H4N2O4CAS 23945-44-0156.10 g/mol

Open in Covalent MOL file
OHONOHNHO
Carboxylic acidPhenol

Properties

Molecular formula
C5H4N2O4
Molar mass
156.10 g/mol
Exact mass
156.0171 Da
Melting point
283 °C
logP
-0.41Crippen estimate
Polar surface area
103.5 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
1

Identifiers

CAS number
23945-44-0
SMILES
O=C(O)c1cnc(O)nc1O
InChIKey
ZXYAAVBXHKCJJB-UHFFFAOYSA-N
InChI
InChI=1S/C5H4N2O4/c8-3-2(4(9)10)1-6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11)

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Names and synonyms

11 names
  • 5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-2,4-dioxo-
  • 5-Pyrimidinecarboxylic acid, 2,4-dihydroxy-
  • 2,4-Dihydroxy-5-pyrimidinecarboxylic acid
  • 5-Uracilcarboxylic acid
  • Isoorotic acid
  • 5-Carboxyuracil
  • 5-Carboxy-2,4-dihydroxypyrimidine
  • 2,4-Dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid
  • NSC 1589
  • NSC 79561
  • 2,4-Dioxo-1H-pyrimidine-5-carboxylic acid

Work with 1,2,3,4-Tetrahydro-2,4-dioxo-5-pyrimidinecarboxylic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

5-Acetyl-2,4(1H,3H)-pyrimidinedione6214-65-962 % similar Ethyl 1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinecarboxylate28485-17-853 % similar 2-Hydroxy-6-methylnicotinic acid38116-61-949 % similar 5-Bromo-1,2-dihydro-2-oxo-3-pyridinecarboxylic acid104612-36-447 % similar 2-Hydroxynicotinic acid609-71-247 % similar 5-Hydroxy-2,4(1H,3H)-pyrimidinedione20636-41-347 % similar 5-Fluoroorotic acid703-95-745 % similar 5-Amino-1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinecarboxylic acid7164-43-445 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Pyrazole-3,5-dicarboxylic acid3112-31-0 4-Hydroxy-3-nitropyridine N-oxide31872-57-8 Imidazole-4,5-dicarboxylic acid570-22-9 Orotic acid65-86-1

Elsewhere

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