chempirical

6-Hydroxypyrimidine-4-carboxylic acid

C5H4N2O3CAS 6299-87-2140.10 g/mol

Open in Covalent MOL file
OHOOHNN
Carboxylic acidPhenol

Properties

Molecular formula
C5H4N2O3
Molar mass
140.10 g/mol
Exact mass
140.0222 Da
Melting point
268–270 °C
logP
-0.12Crippen estimate
Polar surface area
83.3 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
1

Identifiers

CAS number
6299-87-2
SMILES
O=C(O)c1cc(O)ncn1
InChIKey
QYGHXDAYBIFGKI-UHFFFAOYSA-N
InChI
InChI=1S/C5H4N2O3/c8-4-1-3(5(9)10)6-2-7-4/h1-2H,(H,9,10)(H,6,7,8)

Weigh it out

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

Names and synonyms

5 names
  • 6-Oxo-1,6-dihydropyrimidine-4-carboxylic acid
  • 4-Pyrimidinecarboxylic acid, 1,6-dihydro-6-oxo-
  • 4-Pyrimidinecarboxylic acid, 6-hydroxy-
  • 1,6-Dihydro-6-oxo-4-pyrimidinecarboxylic acid
  • NSC 45047

Work with 6-Hydroxypyrimidine-4-carboxylic 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

6-Chloro-4-pyrimidinecarboxylic acid37131-91-259 % similar Orotic acid65-86-155 % similar Citrazinic acid99-11-652 % similar Lutidinic acid499-80-952 % similar 4,6-Dihydroxypyrimidine1193-24-450 % similar Orotic acid monohydrate50887-69-950 % similar 4-Pyrimidinecarboxylic acid31462-59-648 % similar 2,5-Pyrazinedicarboxylic acid122-05-448 % similar

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

Same formula

4-Nitropyridine-N-oxide1124-33-0 5-Formyluracil1195-08-0 3-Nitro-2(3H)-pyridinone137280-55-8 4,6-Dihydroxy-5-formylpyrimidine14256-99-6 3-Hydroxy-2-nitropyridine15128-08-2 3-Hydroxy-2-nitropyridine15128-82-2 2,5-Dihydro-2,5-dioxo-1H-pyrrole-1-carboxamide3345-50-4 5-Hydroxypyrazine-2-carboxylic acid34604-60-9

Elsewhere

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