Compound Identification
SMILES
NC1=NC=NC(N2CCC(CC2)C(NCC2CCNCC2)C2=CC=C(F)C=C2)=C1C1=CC=C(F)C=C1
InChIKey
InChIKey=VKELGBPBEFRIIA-UHFFFAOYSA-N
Formula
C28H34F2N6
Mass
492.619
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
Dialkylarylamines Fluorobenzenes Aralkylamines Aminopyrimidines and derivatives Piperidines Imidolactams Aryl fluorides Heteroaromatic compounds Dialkylamines Azacyclic compounds Primary amines Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
5-phenylpyrimidine - Dialkylarylamine - Aminopyrimidine - Fluorobenzene - Halobenzene - Aralkylamine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Piperidine - Benzenoid - Imidolactam - Heteroaromatic compound - Secondary aliphatic amine - Secondary amine - Azacycle - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Organic nitrogen compound - Primary amine - Hydrocarbon derivative - 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