chempirical

5-Bromouracil

C4H3BrN2O2CAS 51-20-7190.98 g/mol

Open in Covalent MOL file
HONBrOHN
Aryl halidePhenol

Properties

Molecular formula
C4H3BrN2O2
Molar mass
190.98 g/mol
Exact mass
189.9378 Da
Melting point
310 °C
logP
0.65Crippen estimate
Polar surface area
66.2 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
0

Identifiers

CAS number
51-20-7
SMILES
Oc1ncc(Br)c(O)n1
InChIKey
LQLQRFGHAALLLE-UHFFFAOYSA-N
InChI
InChI=1S/C4H3BrN2O2/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

7 names
  • 2,4(1H,3H)-Pyrimidinedione, 5-bromo-
  • Uracil, 5-bromo-
  • 5-Bromo-2,4(1H,3H)-pyrimidinedione
  • Bromouracil
  • 5-Bromo-2,4-dihydroxypyrimidine
  • 5-Bromo-2,4-pyrimidinedione
  • NSC 19940

Work with 5-Bromouracil

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-Chlorouracil1820-81-157 % similar 5-Hydroxy-2,4(1H,3H)-pyrimidinedione20636-41-356 % similar 5-Fluorouracil51-21-852 % similar Thymine65-71-452 % similar 5-Iodouracil696-07-152 % similar 5-Aminouracil932-52-552 % similar 5-(Hydroxymethyl)uracil4433-40-348 % similar 5-Bromo-4(3H)-pyrimidinone19808-30-148 % similar

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

Same formula

5-Bromo-1H-pyrazole-3-carboxylic acid1328893-16-8 4-Bromopyridazine-3,6-diol15456-86-7 5-Bromo-4,6-dihydroxypyrimidine15726-38-2

Elsewhere

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