chempirical

5-Iodouracil

C4H3IN2O2CAS 696-07-1237.98 g/mol

Open in Covalent MOL file
HONIOHN
Aryl halidePhenol

Properties

Molecular formula
C4H3IN2O2
Molar mass
237.98 g/mol
Exact mass
237.9239 Da
Melting point
275 °C (decomposes)
logP
0.49Crippen estimate
Polar surface area
66.2 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
0

Identifiers

CAS number
696-07-1
SMILES
Oc1ncc(I)c(O)n1
InChIKey
KSNXJLQDQOIRIP-UHFFFAOYSA-N
InChI
InChI=1S/C4H3IN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)

Weigh it out

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

Names and synonyms

8 names
  • 2,4(1H,3H)-Pyrimidinedione, 5-iodo-
  • Uracil, 5-iodo-
  • 5-Iodo-2,4(1H,3H)-pyrimidinedione
  • 5-Iodo-2,4-dihydroxypyrimidine
  • NSC 57848
  • 5-Iodo-2,4-pyrimidinedione
  • 5-Iodopyrimidine-2,4-diol
  • 5-Iodopyrimidine-2,4(1H,3H)-dione

Work with 5-Iodouracil

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

Thymine65-71-457 % similar 5-Hydroxy-2,4(1H,3H)-pyrimidinedione20636-41-356 % similar 5-Chlorouracil1820-81-152 % similar 5-Bromouracil51-20-752 % similar 5-Fluorouracil51-21-852 % similar 5-Aminouracil932-52-552 % similar 5-(Hydroxymethyl)uracil4433-40-348 % similar 5-Formyluracil1195-08-047 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook