Compound Identification
SMILES
NC1=NC=C(C(=N1)N1CCNCC1)C1=CC=CC=C1Cl
InChIKey
InChIKey=QRXNLFOKAAYWAJ-UHFFFAOYSA-N
Formula
C14H16ClN5
Mass
289.77
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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Class
Diazines
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Subclass
Pyrimidines and pyrimidine derivatives
- Level 5 Phenylpyrimidines
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Subclass
Pyrimidines and pyrimidine derivatives
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Class
Diazines
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazines
Subclass
Pyrimidines and pyrimidine derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrimidines
Alternative Parents
N-arylpiperazines Dialkylarylamines Chlorobenzenes Aminopyrimidines and derivatives Imidolactams Aryl chlorides Heteroaromatic compounds Dialkylamines Azacyclic compounds Primary amines Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
5-phenylpyrimidine - N-arylpiperazine - Dialkylarylamine - Aminopyrimidine - Chlorobenzene - Halobenzene - Benzenoid - Piperazine - Imidolactam - Aryl chloride - Aryl halide - Monocyclic benzene moiety - 1,4-diazinane - Heteroaromatic compound - Tertiary amine - Azacycle - Secondary amine - Secondary aliphatic amine - Hydrocarbon derivative - Amine - Organohalogen compound - Organochloride - Organonitrogen compound - Organic nitrogen compound - Primary amine - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond. 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