CHEBI:83658 - 5-bromo-3-(butan-2-yl)-6-methylpyrimidine-2,4(1H,3H)-dione

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ChEBI Name 5-bromo-3-(butan-2-yl)-6-methylpyrimidine-2,4(1H,3H)-dione
ChEBI ID CHEBI:83658
ChEBI ASCII Name 5-bromo-3-(butan-2-yl)-6-methylpyrimidine-2,4(1H,3H)-dione
Definition A pyrimidone that is pyrimidine-2,4(1H,3H)-dione substituted by a bromo group at position 5, a butan-2-yl group at position 3 and a methyl group at position 6.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C9H13BrN2O2
Net Charge 0
Average Mass 261.11600
Monoisotopic Mass 260.016
InChI InChI=1S/C9H13BrN2O2/c1-4-5(2)12-8(13)7(10)6(3)11-9(12)14/h5H,4H2,1-3H3,(H,11,14)
InChIKey CTSLUCNDVMMDHG-UHFFFAOYSA-N
SMILES CCC(C)n1c(=O)[nH]c(C)c(Br)c1=O
ChEBI Ontology
Outgoing 5-bromo-3-(butan-2-yl)-6-methylpyrimidine-2,4(1H,3H)-dione (CHEBI:83658) is a organobromine compound (CHEBI:37141)
5-bromo-3-(butan-2-yl)-6-methylpyrimidine-2,4(1H,3H)-dione (CHEBI:83658) is a pyrimidone (CHEBI:38337)
Incoming (R)-bromacil (CHEBI:83659) is a 5-bromo-3-(butan-2-yl)-6-methylpyrimidine-2,4(1H,3H)-dione (CHEBI:83658)
(S)-bromacil (CHEBI:83660) is a 5-bromo-3-(butan-2-yl)-6-methylpyrimidine-2,4(1H,3H)-dione (CHEBI:83658)
IUPAC Name
5-bromo-3-(butan-2-yl)-6-methylpyrimidine-2,4(1H,3H)-dione
Manual Xref Database
88 PPDB
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Last Modified
10 November 2014