chempirical

5-Fluoro-4(3H)-pyrimidinone

C4H3FN2OCAS 671-35-2114.08 g/mol

Open in Covalent MOL file
HONNF
Aryl halidePhenol

Properties

Molecular formula
C4H3FN2O
Molar mass
114.08 g/mol
Exact mass
114.0229 Da
Melting point
204–205 °C
logP
0.32Crippen estimate
Polar surface area
46.0 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Identifiers

CAS number
671-35-2
SMILES
Oc1ncncc1F
InChIKey
NBAHQCCWEKHGTD-UHFFFAOYSA-N
InChI
InChI=1S/C4H3FN2O/c5-3-1-6-2-7-4(3)8/h1-2H,(H,6,7,8)

Weigh it out

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

Names and synonyms

11 names
  • 4(3H)-Pyrimidinone, 5-fluoro-
  • 4(1H)-Pyrimidinone, 5-fluoro-
  • 4-Pyrimidinol, 5-fluoro-
  • 4-Hydroxy-5-fluoropyrimidine
  • 5-Fluoro-4-hydroxypyrimidine
  • Fluoxydine
  • 5-Fluoro-4-pyrimidinol
  • Fluoxidine
  • NSC 529068
  • Fluoxydin
  • 5-Fluoropyrimidin-4(3H)-one

Work with 5-Fluoro-4(3H)-pyrimidinone

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-Bromo-4(3H)-pyrimidinone19808-30-150 % similar 5-Fluorouracil51-21-848 % similar 5-Fluoro-6-hydroxy-4(3H)-pyrimidinone106615-61-646 % similar 4-Ethyl-5-fluoropyrimidine137234-88-945 % similar 5-Fluoro-2-methoxy-4(3H)-pyrimidinone1480-96-241 % similar 5,7-Difluoro-4(3H)-quinazolinone379228-58-740 % similar 2-Ethoxy-5-fluoro-4(3H)-pyrimidinone56177-80-139 % similar Methyl 1,6-dihydro-6-oxo-5-pyrimidinecarboxylate4774-35-038 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook