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CHEBI:28212 - deethylatrazine

ChEBI IDCHEBI:28212
ChEBI Namedeethylatrazine
Stars
DefinitionA chloro-1,3,5-triazine that is 6-chloro-1,3,5-triazine-2,4-diamine in which one of the hydrogens of the amino group is replaced by a propan-2-yl group.
Secondary ChEBI IDsCHEBI:4355, CHEBI:23581
Last Modified4 November 2014
DownloadsMolfile
FormulaC6H10ClN5
Net Charge0
Average Mass187.634
Monoisotopic Mass187.06247
SMILESCC(C)Nc1nc(N)nc(Cl)n1
InChIInChI=1S/C6H10ClN5/c1-3(2)9-6-11-4(7)10-5(8)12-6/h3H,1-2H3,(H3,8,9,10,11,12)
InChIKeyDFWFIQKMSFGDCQ-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
marine xenobiotic metabolite  Any metabolite produced by metabolism of a xenobiotic compound in marine macro- and microorganisms.
ChEBI Ontology
Outgoing Relation(s)
deethylatrazine (CHEBI:28212) has functional parent 6-chloro-1,3,5-triazine-2,4-diamine (CHEBI:27726)
deethylatrazine (CHEBI:28212) has role marine xenobiotic metabolite (CHEBI:83399)
deethylatrazine (CHEBI:28212) is a chloro-1,3,5-triazine (CHEBI:38168)
deethylatrazine (CHEBI:28212) is a diamino-1,3,5-triazine (CHEBI:38170)
IUPAC Name 
6-chloro-N-(propan-2-yl)-1,3,5-triazine-2,4-diamine
Synonyms  Source
DeethylatrazineKEGG COMPOUND
6-chloro-N-isopropyl-1,3,5-triazine-2,4-diamineIUPAC
4-deethylatrazineChemIDplus
desethyl atrazineChemIDplus
2-chloro-4-amino-6-(isopropylamino)-s-triazineChemIDplus
6-chloro-N-(1-methylethyl)-1,3,5-triazine-2,4-diamineChemIDplus
Manual XrefsDatabases
C06559KEGG COMPOUND
c0169UM-BBD
CPD-801MetaCyc
HMDB0033249HMDB
Registry NumbersSources
Reaxys:610488Reaxys
CAS:6190-65-4KEGG COMPOUND
CAS:6190-65-4ChemIDplus
Citations