Showing Compound Card for 2-Amino-4-propyl-pyrimidine (CDB006383)

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Record Information
Version1.0
Created at2021-01-13 17:43:47 UTC
Updated at2021-01-13 17:43:48 UTC
CannabisDB IDCDB006383
Secondary Accession NumbersNot Available
Cannabis Compound Identification
Common Name2-Amino-4-propyl-pyrimidine
Description2-Amino-4-propyl-pyrimidine, also known as 4-propylpyrimidin-2-amine, belongs to the class of organic compounds known as aminopyrimidines and derivatives. These are organic heterocyclic compounds containing an amino group attached to a pyrimidine ring. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions. 2-Amino-4-propyl-pyrimidine is a strongly basic compound. 2-Amino-4-propyl-pyrimidine is formed during the combustion of cannabis and is therefore a constituent of cannabis smoke ( Ref:DOI ).
Structure
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MOLSDF3D-SDFPDBSMILESInChI View 3D Structure
SynonymsNot Available
Chemical FormulaC7H11N3
Average Molecular Weight137.186
Monoisotopic Molecular Weight137.095297366
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILES
CCCC1=NC(=N)NC=C1
InChI Identifier
InChI=1S/C7H11N3/c1-2-3-6-4-5-9-7(8)10-6/h4-5H,2-3H2,1H3,(H2,8,9,10)
InChI KeyCZSMIYBZIJBZKR-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as aminopyrimidines and derivatives. These are organic compounds containing an amino group attached to a pyrimidine ring. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassDiazines
Sub ClassPyrimidines and pyrimidine derivatives
Direct ParentAminopyrimidines and derivatives
Alternative Parents
Substituents
  • Aminopyrimidine
  • Heteroaromatic compound
  • Azacycle
  • Organic nitrogen compound
  • Hydrocarbon derivative
  • Primary amine
  • Organonitrogen compound
  • Amine
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External DescriptorsNot Available
Ontology
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Physical Properties
StateNot Available
Experimental Properties
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Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
logPNot AvailableNot Available
Predicted Properties
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Pathways
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Protein Targets
EnzymesNot Available
TransportersNot Available
Metal BindingsNot Available
ReceptorsNot Available
Transcriptional FactorsNot Available
Concentrations Data
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HMDB IDNot Available
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID10485168
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound14639240
PDB IDNot Available
ChEBI IDNot Available
References
General ReferencesNot Available