2QB

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Summary

Name:5-(azidomethyl)-2-methylpyrimidin-4-amine
Formula:C6 H8 N6
Formal charge:0
Molecular weight:164.168 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.015-(azidomethyl)-2-methylpyrimidin-4-amine
OpenEye OEToolkits1.7.65-(azidomethyl)-2-methyl-pyrimidin-4-amine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01[N-]=[N+]=N/Cc1cnc(nc1N)C
InChIInChI1.03InChI=1S/C6H8N6/c1-4-9-2-5(3-10-12-8)6(7)11-4/h2H,3H2,1H3,(H2,7,9,11)
InChIKeyInChI1.03HRZOZFYDZBEQQQ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1ncc(CN=[N+]=[N-])c(N)n1
SMILESCACTVS3.385Cc1ncc(CN=[N+]=[N-])c(N)n1
SMILES_CANONICALOpenEye OEToolkits1.7.6Cc1ncc(c(n1)N)CN=[N+]=[N-]
SMILESOpenEye OEToolkits1.7.6Cc1ncc(c(n1)N)CN=[N+]=[N-]
167132
PDB entries from 2020-07-29