Compound Identification
SMILES
C[C@@H]1C[C@@H](C)C[NH+](CC2=NC(=O)C=C(C)N2)C1
InChIKey
InChIKey=LGGCXDXBASLRDT-NXEZZACHSA-O
Formula
C13H22N3O
Mass
236.338
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Diazines
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Subclass
Pyrimidines and pyrimidine derivatives
- Level 5 Pyrimidones
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Subclass
Pyrimidines and pyrimidine derivatives
-
Class
Diazines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazines
Subclass
Pyrimidines and pyrimidine derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Pyrimidones
Alternative Parents
Aralkylamines Piperidines Hydropyrimidines Vinylogous amides Quaternary ammonium salts Heteroaromatic compounds Trialkylamines Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Pyrimidone - Aralkylamine - Hydropyrimidine - Piperidine - Quaternary ammonium salt - Heteroaromatic compound - Vinylogous amide - Tertiary amine - Tertiary aliphatic amine - Azacycle - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyrimidones. These are compounds that contain a pyrimidine ring, which bears a ketone. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
External Descriptors
Not available