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CHEBI:83789 - N-(butan-2-yl)-6-chloro-N'-ethyl-1,3,5-triazine-2,4-diamine

ChEBI IDCHEBI:83789
ChEBI NameN-(butan-2-yl)-6-chloro-N'-ethyl-1,3,5-triazine-2,4-diamine
Stars
ASCII NameN-(butan-2-yl)-6-chloro-N'-ethyl-1,3,5-triazine-2,4-diamine
DefinitionA diamino-1,3,5-triazine that is N-(butan-2-yl)-N'-ethyl-1,3,5-triazine-2,4-diamine substituted by a chloro group at position 6.
Last Modified18 November 2014
Submitternamrata
DownloadsMolfile
FormulaC9H16ClN5
Net Charge0
Average Mass229.715
Monoisotopic Mass229.10942
SMILESCCNc1nc(Cl)nc(NC(C)CC)n1
InChIInChI=1S/C9H16ClN5/c1-4-6(3)12-9-14-7(10)13-8(15-9)11-5-2/h6H,4-5H2,1-3H3,(H2,11,12,13,14,15)
InChIKeyBZRUVKZGXNSXMB-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
N-(butan-2-yl)-6-chloro-N'-ethyl-1,3,5-triazine-2,4-diamine (CHEBI:83789) is a chloro-1,3,5-triazine (CHEBI:38168)
N-(butan-2-yl)-6-chloro-N'-ethyl-1,3,5-triazine-2,4-diamine (CHEBI:83789) is a diamino-1,3,5-triazine (CHEBI:38170)
Incoming Relation(s)
(R)-sebuthylazine (CHEBI:83790) is a N-(butan-2-yl)-6-chloro-N'-ethyl-1,3,5-triazine-2,4-diamine (CHEBI:83789)
(S)-sebuthylazine (CHEBI:83791) is a N-(butan-2-yl)-6-chloro-N'-ethyl-1,3,5-triazine-2,4-diamine (CHEBI:83789)
IUPAC Name 
N-(butan-2-yl)-6-chloro-N'-ethyl-1,3,5-triazine-2,4-diamine
Manual XrefsDatabases
1533PPDB