Compound Identification
SMILES
OC1CCN(CC1)C1=NC=C(C=N1)C1=C(C=CC(F)=C1)N1CCN(CC1)C(C=O)N1C=NC2=C1N=CC=C2
InChIKey
InChIKey=BESPLAQHDSVILK-UHFFFAOYSA-N
Formula
C27H29FN8O2
Mass
516.581
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
Phenylpiperazines N-arylpiperazines Imidazopyridines Aniline and substituted anilines Dialkylarylamines Aminopyrimidines and derivatives N-alkylpiperazines Fluorobenzenes Pyridines and derivatives Piperidines N-substituted imidazoles Aryl fluorides Heteroaromatic compounds Secondary alcohols Azacyclic compounds Hydrocarbon derivatives Organic oxides Organofluorides Aldehydes
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylpiperazine - 5-phenylpyrimidine - N-arylpiperazine - Imidazopyridine - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Aminopyrimidine - Halobenzene - Fluorobenzene - N-alkylpiperazine - N-substituted imidazole - Benzenoid - 1,4-diazinane - Monocyclic benzene moiety - Aryl fluoride - Aryl halide - Pyridine - Piperidine - Piperazine - Azole - Heteroaromatic compound - Imidazole - Secondary alcohol - Tertiary amine - Azacycle - Alcohol - Organohalogen compound - Organofluoride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Aldehyde - 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