CHEBI:28212 - deethylatrazine

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ChEBI Name deethylatrazine
ChEBI ID CHEBI:28212
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:4355, CHEBI:23581
Supplier Information
Download Molfile XML SDF
Formula C6H10ClN5
Net Charge 0
Average Mass 187.63000
Monoisotopic Mass 187.062
InChI InChI=1S/C6H10ClN5/c1-3(2)9-6-11-4(7)10-5(8)12-6/h3H,1-2H3,(H3,8,9,10,11,12)
InChIKey DFWFIQKMSFGDCQ-UHFFFAOYSA-N
SMILES CC(C)Nc1nc(N)nc(Cl)n1
Roles Classification
Biological Role(s): marine xenobiotic metabolite
Any metabolite produced by metabolism of a xenobiotic compound in marine macro- and microorganisms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
2-amino-4-chloro-6-(isopropylamino)-s-triazine ChemIDplus
2-chloro-4-amino-6-(isopropylamino)-s-triazine ChemIDplus
4-deethylatrazine ChemIDplus
6-chloro-N-(1-methylethyl)-1,3,5-triazine-2,4-diamine ChemIDplus
6-chloro-N-isopropyl-1,3,5-triazine-2,4-diamine IUPAC
Deethylatrazin ChemIDplus
Deethylatrazine KEGG COMPOUND
desethyl atrazine ChemIDplus
Database Links Databases
c0169 UM-BBD
C06559 KEGG COMPOUND
CPD-801 MetaCyc
HMDB0033249 HMDB
View more database links
Registry Numbers Types Sources
610488 Beilstein Registry Number Beilstein
610488 Reaxys Registry Number Reaxys
6190-65-4 CAS Registry Number KEGG COMPOUND
6190-65-4 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
11476505 PubMed citation Europe PMC
15506812 PubMed citation Europe PMC
25281136 PubMed citation Europe PMC
Last Modified
04 November 2014
General Comments
2014-10-29 Metabolite of Atrazine
2014-10-29 Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag