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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 16:58:52 UTC
Update Date2025-03-25 01:39:35 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02476508
Frequency0.5
Structure
Chemical FormulaC4H8N2
Molecular Mass84.0687
SMILESC1=NCNCC1
InChI KeyOHFXUPDPPRJZES-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazines
Subclass pyrimidines and pyrimidine derivatives
Direct Parent hydropyrimidines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • dialkylamines
  • hydrocarbon derivatives
  • imines
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • secondary aliphatic amine
  • azacycle
  • imine
  • organic 1,3-dipolar compound
  • secondary amine
  • propargyl-type 1,3-dipolar organic compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • hydropyrimidine
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • 1,2,5,6-tetrahydropyrimidine
  • amine