deethylatrazine (CHEBI:28212)

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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

Average Mass

187.63000

Monoisotopic Mass

187.06247

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
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound )

Biological Role(s):	marine xenobiotic metabolite Any metabolite produced by metabolism of a xenobiotic compound in marine macro- and microorganisms.

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

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