CHEBI:26276 - prometryn

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name prometryn
ChEBI ID CHEBI:26276
Definition A diamino-1,3,5-triazine that is N,N'-di(propan-2-yl)-1,3,5-triazine-2,4-diamine substituted by a methylsulfanediyl group at position 6.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C10H19N5S
Net Charge 0
Average Mass 241.35756
Monoisotopic Mass 241.136
InChI InChI=1S/C10H19N5S/c1-6(2)11-8-13-9(12-7(3)4)15-10(14-8)16-5/h6-7H,1-5H3,(H2,11,12,13,14,15)
InChIKey AAEVYOVXGOFMJO-UHFFFAOYSA-N
SMILES CSc1nc(NC(C)C)nc(NC(C)C)n1
Roles Classification
Chemical Role(s): environmental contaminant
Any minor or unwanted substance introduced into the environment that can have undesired effects.
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): xenobiotic
A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
Application(s): herbicide
A substance used to destroy plant pests.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing prometryn (CHEBI:26276) has role environmental contaminant (CHEBI:78298)
prometryn (CHEBI:26276) has role herbicide (CHEBI:24527)
prometryn (CHEBI:26276) has role xenobiotic (CHEBI:35703)
prometryn (CHEBI:26276) is a diamino-1,3,5-triazine (CHEBI:38170)
prometryn (CHEBI:26276) is a methylthio-1,3,5-triazine (CHEBI:38174)
IUPAC Name
6-(methylsulfanyl)-N,N'-di(propan-2-yl)-1,3,5-triazine-2,4-diamine
Synonyms Sources
2-(methylthio)-4,6-bis(isopropylamino)-s-triazine NIST Chemistry WebBook
N,N'-bis(1-methylethyl)-6-methylthio-1,3,5-triazine-2,4-diamine NIST Chemistry WebBook
N,N'-diisopropyl-6-(methylthio)-1,3,5-triazine-2,4-diamine ChEBI
Prometryn UM-BBD
Prometryne ChemIDplus
Manual Xrefs Databases
542 PPDB
c0255 UM-BBD
C18542 KEGG COMPOUND
CN101971818 Patent
CN101971820 Patent
CPD-9344 MetaCyc
LSM-20941 LINCS
prometryn Alan Wood's Pesticides
View more database links
Registry Numbers Types Sources
1044597 Gmelin Registry Number Gmelin
613575 Reaxys Registry Number Reaxys
613575 Beilstein Registry Number Beilstein
7287-19-6 CAS Registry Number ChemIDplus
7287-19-6 CAS Registry Number NIST Chemistry WebBook
Citations Waiting for Citations Types Sources
24138459 PubMed citation Europe PMC
24485317 PubMed citation Europe PMC
Last Modified
25 February 2016
General Comment
2014-10-29 Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag