Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	56028
Common Name:	Pirimiphos-methyl
Systematic Name:	O-[2-(diethylamino)-6-methylpyrimidin-4-yl] O,O-dimethyl phosphorothioate
RefMet Name:	Pirimiphos-methyl
Synonyms:	O-[2-(diethylamino)-6-methylpyrimidin-4-yl] O,O-dimethyl thiophosphate; Pirimifosmethyl; Pirimiphos methyl; Pyrimiphos methyl [PubChem Synonyms]
Exact Mass:	305.0963 (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:	C11H20N3O3PS
InChIKey:	QHOQHJPRIBSPCY-UHFFFAOYSA-N
ClassyFire superclass:	Organic acids and derivatives [C0000264]
ClassyFire class:	Organic thiophosphoric acids and derivatives [C0001303]
ClassyFire subclass:	Thiophosphoric acid esters [C0001572]
ClassyFire direct parent:	Pyrimidinyl phosphorothioates [C0004771]
MoNA MS spectra:	View MS spectra
SMILES:	CCN(CC)c1nc(C)cc(n1)OP(=S)(OC)OC
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	34526
CHEBI ID:	38843
HMDB ID:	HMDB0256600
EPA CompTox DB:	DTXCID004266
Plant Metabolite Hub(Pmhub):	MS000000460

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