Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	55903
Common Name:	2-(dimethylamino)-5,6-dimethylpyrimidin-4-ol
Systematic Name:	2-(dimethylamino)-5,6-dimethylpyrimidin-4-ol
RefMet Name:	2-(Dimethylamino)-5,6-dimethylpyrimidin-4-ol
Synonyms:	2-(Dimethylamino)-5,6-dimethyl-1H-pyrimidin-4-one [PubChem Synonyms]
Exact Mass:	167.1059 (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:	C8H13N3O
InChIKey:	MUEHLDAHWSCFAG-UHFFFAOYSA-N
ClassyFire superclass:	Organic nitrogen compounds [C0004707]
ClassyFire class:	Organonitrogen compounds [C0000278]
ClassyFire subclass:	Amines [C0002449]
ClassyFire direct parent:	Dialkylarylamines [C0003901]
Massbank MS spectra:	View MS spectra
SMILES:	Cc1c(C)nc(nc1O)N(C)C
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	135420611
CHEBI ID:	38546
Plant Metabolite Hub(Pmhub):	MS000015565

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