chempirical

5-Amino-1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinecarboxylic acid

C5H5N3O4CAS 7164-43-4171.11 g/mol

Open in Covalent MOL file
NH2OHNOHNOHO
Carboxylic acidPhenolPrimary amine

Properties

Molecular formula
C5H5N3O4
Molar mass
171.11 g/mol
Exact mass
171.0280 Da
logP
-0.83Crippen estimate
Polar surface area
129.6 Ų
H-bond donors / acceptors
4 / 6
Rotatable bonds
1

Identifiers

CAS number
7164-43-4
SMILES
Nc1c(O)nc(O)nc1C(=O)O
InChIKey
HWCXJKLFOSBVLH-UHFFFAOYSA-N
InChI
InChI=1S/C5H5N3O4/c6-1-2(4(10)11)7-5(12)8-3(1)9/h6H2,(H,10,11)(H2,7,8,9,12)

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Names and synonyms

8 names
  • 4-Pyrimidinecarboxylic acid, 5-amino-1,2,3,6-tetrahydro-2,6-dioxo-
  • Orotic acid, 5-amino-
  • 4-Pyrimidinecarboxylic acid, 5-amino-2,6-dihydroxy-
  • 5-Aminoorotic acid
  • 5-Amino-2,4-dihydroxypyrimidine-6-carboxylic acid
  • 5-Amino-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylic acid
  • NSC 43249
  • 5-Amino-2,6-dihydroxypyrimidine-4-carboxylic acid

Work with 5-Amino-1,2,3,6-tetrahydro-2,6-dioxo-4-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-Fluoroorotic acid703-95-760 % similar 5,6-Diaminouracil3240-72-048 % similar 1,2,3,4-Tetrahydro-2,4-dioxo-5-pyrimidinecarboxylic acid23945-44-045 % similar Picloram1918-02-143 % similar 2,4(1H,3H)-Pyrimidinedione, 5,6-diamino-, sulfate (1:?)32014-70-343 % similar 6-Amino-5-nitroso-2,4(1H,3H)-pyrimidinedione5442-24-038 % similar Orotic acid65-86-138 % similar 3-Hydroxyanthranilic acid548-93-638 % similar

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

Same formula

Methyl 4-nitro-1H-pyrazole-5-carboxylate138786-86-4 6-Methyl-5-nitro-2,4(1H,3H)-pyrimidinedione16632-21-6

Elsewhere

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