chempirical

2-Ethoxy-5-fluorouracil

C6H7FN2O2CAS 56177-80-1158.13 g/mol

Open in Covalent MOL file
ONFOHN
Aryl halideEtherPhenol

Properties

Molecular formula
C6H7FN2O2
Molar mass
158.13 g/mol
Exact mass
158.0492 Da
Melting point
182–183 °C
logP
0.72Crippen estimate
Polar surface area
55.2 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P273, P301+P317, P330, P501

Identifiers

CAS number
56177-80-1
SMILES
CCOc1ncc(F)c(O)n1
InChIKey
XREDGJFKPWBNRQ-UHFFFAOYSA-N
InChI
InChI=1S/C6H7FN2O2/c1-2-11-6-8-3-4(7)5(10)9-6/h3H,2H2,1H3,(H,8,9,10)

Weigh it out

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

Names and synonyms

7 names
  • 2-Ethoxy-5-fluoro-4(3H)-pyrimidinone
  • 4(3H)-Pyrimidinone, 2-ethoxy-5-fluoro-
  • 4(1H)-Pyrimidinone, 2-ethoxy-5-fluoro-
  • 2-Ethoxy-5-fluoropyrimidin-4-ol
  • 2-Ethoxy-5-fluoro-3,4-dihydropyrimidin-4-one
  • 2-Ethoxy-5-fluoro-1H-pyrimidin-6-one
  • 2-Ethoxy-5-fluoro-1,4-dihydropyrimidin-4-one

Work with 2-Ethoxy-5-fluorouracil

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-Fluoro-2-methoxy-4(3H)-pyrimidinone1480-96-265 % similar 5-Fluorouracil51-21-850 % similar 5-Fluoro-4(3H)-pyrimidinone671-35-239 % similar 1-Ethoxy-2-fluorobenzene451-80-937 % similar O,O'-Bis(trimethylsilyl)-5-fluorouracil17242-85-236 % similar 4,6-Dichloro-2-ethoxypyrimidine40758-65-434 % similar 1-Ethoxy-2,3-difluorobenzene121219-07-634 % similar Ethyl 1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinecarboxylate28485-17-834 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook