Compound Identification
SMILES
NCCCNCC1=CC=C(C=C1)C1=CN=C(NC2=NC3=CC(F)=C(F)C=C3N2)NC1=O
InChIKey
InChIKey=GDGMLGXBEBTGMU-UHFFFAOYSA-N
Formula
C21H21F2N7O
Mass
425.444
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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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
Benzimidazoles Phenylmethylamines Benzylamines Pyrimidones Aminopyrimidines and derivatives Aralkylamines Aminoimidazoles Aryl fluorides Hydropyrimidines Heteroaromatic compounds Lactams Azacyclic compounds Dialkylamines Hydrocarbon derivatives Monoalkylamines Organic oxides Organofluorides Organooxygen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
5-phenylpyrimidine - Benzimidazole - Benzylamine - Phenylmethylamine - Aminopyrimidine - Pyrimidone - Aralkylamine - Aminoimidazole - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Hydropyrimidine - Benzenoid - Heteroaromatic compound - Azole - Imidazole - Lactam - Azacycle - Secondary amine - Secondary aliphatic amine - Organic oxide - Primary aliphatic amine - Amine - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Organofluoride - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organooxygen compound - Organic nitrogen 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