Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	50689
Common Name:	4-amino-5-hydroxymethyl-2-methylpyrimidine
Systematic Name:	(4-amino-2-methylpyrimidin-5-yl)methanol
RefMet Name:	4-Amino-5-hydroxymethyl-2-methylpyrimidine
Synonyms:	4-amino-5-hydroxymethyl-2-methylpyrimidine [PubChem Synonyms]
Exact Mass:	139.0746 (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:	C6H9N3O
InChIKey:	VUTBELPREDJDDH-UHFFFAOYSA-N
ClassyFire superclass:	Organoheterocyclic compounds [C0000002]
ClassyFire class:	Diazines [C0001346]
ClassyFire subclass:	Pyrimidines and pyrimidine derivatives [C0000075]
ClassyFire direct parent:	Aminopyrimidines and derivatives [C0001262]
SMILES:	Cc1ncc(CO)c(N)n1
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	777
CHEBI ID:	16892
HMDB ID:	HMDB0247327
MetaCyc ID:	HMP
Plant Metabolite Hub(Pmhub):	MS000017190

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