Compound Identification
SMILES
FC1=CC=CC=C1C1=NC2=C(Br)C=NN2C(NC2=CN=CC=C2)=C1
InChIKey
InChIKey=KFJVGXASFIQWKC-UHFFFAOYSA-N
Formula
C17H11BrFN5
Mass
384.212
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
Pyrazolo[1,5-a]pyrimidines Fluorobenzenes Aminopyrimidines and derivatives Aminopyridines and derivatives Aryl fluorides Aryl bromides Pyrazoles Heteroaromatic compounds Secondary amines Azacyclic compounds Organofluorides Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - Pyrazolo[1,5-a]pyrimidine - Pyrazolopyrimidine - Aminopyridine - Aminopyrimidine - Fluorobenzene - Halobenzene - Aryl bromide - Benzenoid - Aryl fluoride - Pyridine - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Pyrazole - Azole - Azacycle - Secondary amine - Organofluoride - Organonitrogen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organobromide - 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