chempirical

Orotic acid

C5H4N2O4CAS 65-86-1156.10 g/mol

Open in Covalent MOL file
OHOOHNOHN
Carboxylic acidPhenol

Properties

Molecular formula
C5H4N2O4
Molar mass
156.10 g/mol
Exact mass
156.0171 Da
Melting point
345–346 °C
logP
-0.41Crippen estimate
Polar surface area
103.5 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
1

Identifiers

CAS number
65-86-1
SMILES
O=C(O)c1cc(O)nc(O)n1
InChIKey
PXQPEWDEAKTCGB-UHFFFAOYSA-N
InChI
InChI=1S/C5H4N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

18 names · show all
  • 4-Pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-2,6-dioxo-
  • 1,2,3,6-Tetrahydro-2,6-dioxo-4-pyrimidinecarboxylic acid
  • Animal galactose factor
  • 6-Carboxyuracil
  • 6-Uracilcarboxylic acid
  • Whey factor
  • 2,6-Dihydroxy-4-pyrimidinecarboxylic acid
  • Oroturic
  • Orotyl
  • Orodin
  • Orotonin
  • 2,6-Dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
  • NSC 79560
  • NSC 9791
  • Vitamin B13
  • 2,4-Dihydroxypyrimidine-6-carboxylic acid
  • 2,4-Dioxo-1H-pyrimidine-6-carboxylic acid
  • 2-Hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid

Work with Orotic 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

Orotic acid monohydrate50887-69-990 % similar Magnesium orotate34717-03-862 % similar Orazamide2574-78-957 % similar Potassium orotate24598-73-056 % similar Lithium orotate5266-20-656 % similar Methyl 1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinecarboxylate6153-44-256 % similar Citrazinic acid99-11-655 % similar 6-Hydroxypyrimidine-4-carboxylic acid6299-87-255 % similar

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

Same formula

1,2,3,4-Tetrahydro-2,4-dioxo-5-pyrimidinecarboxylic acid23945-44-0 Pyrazole-3,5-dicarboxylic acid3112-31-0 4-Hydroxy-3-nitropyridine N-oxide31872-57-8 Imidazole-4,5-dicarboxylic acid570-22-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook