chempirical

Flucytosine

C4H4FN3OCAS 2022-85-7129.09 g/mol

Open in Covalent MOL file
NHNHOHNF
Aryl halidePhenol

Properties

Molecular formula
C4H4FN3O
Molar mass
129.09 g/mol
Exact mass
129.0338 Da
Melting point
295–297 °C (decomposes)
logP
-0.27Crippen estimate
Polar surface area
72.8 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
0

Identifiers

CAS number
2022-85-7
SMILES
N=c1[nH]c(O)ncc1F
InChIKey
XRECTZIEBJDKEO-UHFFFAOYSA-N
InChI
InChI=1S/C4H4FN3O/c5-2-1-7-4(9)8-3(2)6/h1H,(H3,6,7,8,9)

Weigh it out

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

Names and synonyms

19 names · show all
  • 2(1H)-Pyrimidinone, 4-amino-5-fluoro-
  • Cytosine, 5-fluoro-
  • 2(1H)-Pyrimidinone, 6-amino-5-fluoro-
  • 6-Amino-5-fluoro-2(1H)-pyrimidinone
  • 5-Fluorocytosine
  • 4-Amino-5-fluoropyrimidin-2(1H)-one
  • 5-Fluorocytosin
  • Flucytosin
  • Ro 2-9915
  • Fluocytosine
  • Ancobon
  • Fluorocytosine
  • Ancotyl
  • Ancotil
  • 6-Amino-2-oxo-5-fluoropyrimidine
  • Alcobon
  • NSC 103805
  • 4-Amino-5-fluoropyrimidin-2-ol
  • Toca FC

Work with Flucytosine

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-Bromocytosine2240-25-758 % similar 5-Methylcytosine554-01-858 % similar 6-Amino-5-iodo-2(1H)-pyrimidinone1122-44-756 % similar 2-Chloro-5-fluoro-4-pyrimidinamine155-10-256 % similar 5-Methylcytosine hydrochloride58366-64-653 % similar 1,3-Dihydro-4-methyl-2H-imidazol-2-one1192-34-341 % similar 6-Amino-1,3,5-triazin-2(1H)-one931-86-239 % similar Cytosine71-30-738 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook