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CHEBI:20552 - 5-bromouracil

Default Structure
ChEBI IDCHEBI:20552
ChEBI Name5-bromouracil
Stars
DefinitionA pyrimidine having keto groups at the 2- and 4-positions and a bromo group at the 5-position. Used mainly as an experimental mutagen.
Last Modified12 June 2017
DownloadsMolfile
FormulaC4H3BrN2O2
Net Charge0
Average Mass190.984
Monoisotopic Mass189.93779
SMILESO=c1ncc(Br)c(=O)n1
InChIInChI=1S/C4H3BrN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)
InChIKeyLQLQRFGHAALLLE-UHFFFAOYSA-N
Roles Classification
Biological Role:
mutagen  An agent that increases the frequency of mutations above the normal background level, usually by interacting directly with DNA and causing it damage, including base substitution.
ChEBI Ontology
Outgoing Relation(s)
5-bromouracil (CHEBI:20552) has functional parent uracil (CHEBI:17568)
5-bromouracil (CHEBI:20552) has role mutagen (CHEBI:25435)
5-bromouracil (CHEBI:20552) is a nucleobase analogue (CHEBI:67142)
5-bromouracil (CHEBI:20552) is a pyrimidines (CHEBI:39447)
IUPAC Name 
5-bromopyrimidine-2,4(1H,3H)-dione
Synonyms  Source
1,2,3,4-tetrahydro-5-bromo-2,4-pyrimidinedioneNIST Chemistry WebBook
5-bromo-2,4(1H,3H)-pyrimidinedioneNIST Chemistry WebBook
5-BrUChemIDplus
5-BUChemIDplus
bromouracilChemIDplus
Registry NumbersSources
Beilstein:127176Beilstein
Gmelin:486432Gmelin
CAS:51-20-7ChemIDplus
CAS:51-20-7NIST Chemistry WebBook
Citations