Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	46715
Common Name:	Cyprodinil
Systematic Name:	4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine
RefMet Name:	Cyprodinil
Synonyms:	[PubChem Synonyms]
Exact Mass:	225.1266 (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:	C14H15N3
InChIKey:	HAORKNGNJCEJBX-UHFFFAOYSA-N
ClassyFire superclass:	Benzenoids [C0002448]
ClassyFire class:	Benzene and substituted derivatives [C0002279]
ClassyFire subclass:	Aniline and substituted anilines [C0000284]
ClassyFire direct parent:	Aniline and substituted anilines [C0000284]
Massbank MS spectra:	View MS spectra
SMILES:	Cc1cc(C2CC2)nc(n1)Nc1ccccc1
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	86367
CHEBI ID:	4045
HMDB ID:	HMDB0034853
KEGG ID:	C10914
Chemspider ID:	77885
EPA CompTox DB:	DTXCID9012359
Plant Metabolite Hub(Pmhub):	MS000000043

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