Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	55945
Common Name:	2-isopropyl-6-methylpyrimidin-4-ol
Systematic Name:	6-methyl-2-(propan-2-yl)pyrimidin-4-ol
RefMet Name:	2-Isopropyl-6-methylpyrimidin-4-ol
Synonyms:	6-methyl-2-(1-methylethyl)pyrimidin-4-ol [PubChem Synonyms]
Exact Mass:	152.0950 (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:	C8H12N2O
InChIKey:	AJPIUNPJBFBUKK-UHFFFAOYSA-N
ClassyFire superclass:	Organoheterocyclic compounds [C0000002]
ClassyFire class:	Diazines [C0001346]
ClassyFire subclass:	Pyrimidines and pyrimidine derivatives [C0000075]
ClassyFire direct parent:	Pyrimidones [C0000291]
Massbank MS spectra:	View MS spectra
SMILES:	CC(C)c1nc(C)cc(n1)O
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	135444498
CHEBI ID:	38629
HMDB ID:	HMDB0245733
EPA CompTox DB:	DTXCID507502
Plant Metabolite Hub(Pmhub):	MS000001942

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