Compound Identification
SMILES
CCN1C(C)=NC(=C(CCC2=CC=CC=C2)C1=O)C1=C(O)C(F)=CC=C1
InChIKey
InChIKey=GQUAQGXCQBVRNH-UHFFFAOYSA-N
Formula
C21H21FN2O2
Mass
352.409
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
O-fluorophenols Pyrimidones Fluorobenzenes 1-hydroxy-4-unsubstituted benzenoids Hydropyrimidines Aryl fluorides Heteroaromatic compounds Lactams Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-phenylpyrimidine - 2-halophenol - 2-fluorophenol - 1-hydroxy-4-unsubstituted benzenoid - Fluorobenzene - Halobenzene - Pyrimidone - Phenol - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Hydropyrimidine - Heteroaromatic compound - Lactam - Azacycle - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - 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