CHEBI:27399 - deisopropylatrazine

ChEBI IDCHEBI:27399
ChEBI Namedeisopropylatrazine
Stars
DefinitionA diamino-1,3,5-triazine that is N-ethyl-1,3,5-triazine-2,4-diamine substituted by a chloro group at position 6.
Secondary ChEBI IDsCHEBI:4374, CHEBI:23597
Last Modified4 November 2014
DownloadsMolfile
FormulaC5H8ClN5
Net Charge0
Average Mass173.607
Monoisotopic Mass173.04682
SMILESCCNc1nc(N)nc(Cl)n1
InChIInChI=1S/C5H8ClN5/c1-2-8-5-10-3(6)9-4(7)11-5/h2H2,1H3,(H3,7,8,9,10,11)
InChIKeyIVENSCMCQBJAKW-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
bacterial xenobiotic metabolite  Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria.
marine xenobiotic metabolite  Any metabolite produced by metabolism of a xenobiotic compound in marine macro- and microorganisms.
ChEBI Ontology
Outgoing Relation(s)
deisopropylatrazine (CHEBI:27399) has functional parent 6-chloro-1,3,5-triazine-2,4-diamine (CHEBI:27726)
deisopropylatrazine (CHEBI:27399) has role bacterial xenobiotic metabolite (CHEBI:76976)
deisopropylatrazine (CHEBI:27399) has role marine xenobiotic metabolite (CHEBI:83399)
deisopropylatrazine (CHEBI:27399) is a chloro-1,3,5-triazine (CHEBI:38168)
deisopropylatrazine (CHEBI:27399) is a diamino-1,3,5-triazine (CHEBI:38170)
IUPAC Name 
6-chloro-N-ethyl-1,3,5-triazine-2,4-diamine
Synonyms  Source
DeisopropylatrazineKEGG COMPOUND
amino-2-chloro-6-ethylamino-s-triazineUM-BBD
6-deisopropylatrazineChemIDplus
2-amino-4-chloro-6-ethylamino-s-triazineChemIDplus
2-chloro-4-amino-6-ethylamino-s-triazineChemIDplus
2-amino-4-chloro-6-(ethylamino)-s-triazineChemIDplus
Manual XrefsDatabases
C06556KEGG COMPOUND
c0166UM-BBD
CPD-805MetaCyc
Registry NumbersSources
Reaxys:8150Reaxys
CAS:1007-28-9KEGG COMPOUND
CAS:1007-28-9ChemIDplus
Citations