Compound Identification
SMILES
CN=C(N)NC1=NC2=C(C=C(Cl)C=C2)C(=N1)C1=C(N)C=C(C)C=C1
InChIKey
InChIKey=MKWCRHXLLFROTD-UHFFFAOYSA-N
Formula
C17H17ClN6
Mass
340.82
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
Quinazolinamines Aniline and substituted anilines Aminotoluenes Aryl chlorides Heteroaromatic compounds Guanidines Propargyl-type 1,3-dipolar organic compounds Carboximidamides Azacyclic compounds Primary amines Organochlorides Imines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - Quinazolinamine - Quinazoline - Aminotoluene - Aniline or substituted anilines - Toluene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Guanidine - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organochloride - Organohalogen compound - Imine - Amine - Organonitrogen compound - Organic nitrogen compound - Primary amine - Hydrocarbon derivative - 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