Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	55051
Common Name:	Prometon
Systematic Name:	6-methoxy-N,N'-di(propan-2-yl)-1,3,5-triazine-2,4-diamine
RefMet Name:	Prometon
Synonyms:	2,4-Bis(isopropylamino)-6-methoxy-1,3,5-triazine; 2,4-bis(isopropylamino)-6-methoxy-s-triazine; 2-methoxy-4,6-bis(isopropylamino)-1,3,5-triazine; 2-methoxy-4,6-bis(isopropylamino)-s-triazine; 4,6-bis(isopropylamino)-2-methoxy-s-triazine; 6-methoxy-N,N'-bis(1-methylethyl)-1,3,5-triazine-2,4-diamine; Gesafram; N,N'-diisopropyl-6-methoxy-1,3,5-triazine-2,4-diamine; N,N'-diisopropyl-6-methoxy-1,3,5-triazine-2,4-diyldiamine; Pramitol; Prometon; methoxypropazine; prometone [PubChem Synonyms]
Exact Mass:	225.1590 (neutral)    Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M-H+2K]+ [M+Na]+ [M+2Na]2+ [M-H+2Na]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+HCOO]- M(neutral)
Formula:	C10H19N5O
InChIKey:	ISEUFVQQFVOBCY-UHFFFAOYSA-N
ClassyFire superclass:	Organoheterocyclic compounds [C0000002]
ClassyFire class:	Triazines [C0000098]
ClassyFire subclass:	Aminotriazines [C0001693]
ClassyFire direct parent:	1,3,5-triazine-2,4-diamines [C0004734]
MoNA MS spectra:	View MS spectra
SMILES:	CC(C)Nc1nc(NC(C)C)nc(n1)OC
Studies:	Available studies (via RefMet name)

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External database links:

PubChem CID:	4928
CHEBI ID:	34934
HMDB ID:	HMDB0256804
EPA CompTox DB:	DTXCID402341
Plant Metabolite Hub(Pmhub):	MS000000076

References

LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y