Compound Identification
SMILES
[B]C1=C2N=C(C=C(NC3CCCNC3)N2N=C1)C1=CC=CC=C1Cl
InChIKey
InChIKey=HYNFTBKYVXESDR-UHFFFAOYSA-N
Formula
C17H17BClN5
Mass
337.62
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Diazines
-
Subclass
Pyrimidines and pyrimidine derivatives
- Level 5 Phenylpyrimidines
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Subclass
Pyrimidines and pyrimidine derivatives
-
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
Pyrazolo[1,5-a]pyrimidines Chlorobenzenes Aminopyrimidines and derivatives Aminopiperidines Aryl chlorides Pyrazoles Heteroaromatic compounds Organic metalloid salts Dialkylamines Azacyclic compounds Organometalloid compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - Pyrazolo[1,5-a]pyrimidine - Pyrazolopyrimidine - 3-aminopiperidine - Aminopyrimidine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Benzenoid - Piperidine - Monocyclic benzene moiety - Heteroaromatic compound - Azole - Pyrazole - Azacycle - Organic metalloid salt - Secondary amine - Secondary aliphatic amine - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organochloride - Organic metalloid moeity - Organohalogen compound - Aromatic heteropolycyclic 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