Compound Identification
SMILES
[Fe++].[CH]1[CH][CH][CH][CH]1.NC1=NC(=CC(=N1)[C]1[CH][CH][CH][CH]1)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=XJFKPGMECYZLDA-UHFFFAOYSA-N
Formula
C20H16ClFeN3
Mass
389.66
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
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
Chlorobenzenes Aminopyrimidines and derivatives Aryl chlorides Heteroaromatic compounds Organic transition metal salts Organic metal halides Cycloalkenes Azacyclic compounds Unsaturated aliphatic hydrocarbons Primary amines Organopnictogen compounds Organochlorides Hydrocarbon derivatives Organic cations
Molecular Framework
Not available
Substituents
4-phenylpyrimidine - Aminopyrimidine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Organic metal halide - Cyclic olefin - Cycloalkene - Azacycle - Organic transition metal salt - Organochloride - Organohalogen compound - Olefin - Hydrocarbon derivative - Organic nitrogen compound - Unsaturated hydrocarbon - Unsaturated aliphatic hydrocarbon - Organonitrogen compound - Organopnictogen compound - Primary amine - Amine - Hydrocarbon - Organic cation - 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