Compound Identification
SMILES
FC(F)(F)OC1=CC=CC(CCNC2=NC=CC(=N2)C2=CC(=CC=C2)C(=O)NCCN2CCCC2)=C1
InChIKey
InChIKey=BEFDWXYPVJPXAH-UHFFFAOYSA-N
Formula
C26H28F3N5O2
Mass
499.538
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
Benzamides Benzoyl derivatives Phenol ethers Phenoxy compounds Aminopyrimidines and derivatives Secondary alkylarylamines N-alkylpyrrolidines Heteroaromatic compounds Amino acids and derivatives Trihalomethanes Secondary carboxylic acid amides Trialkylamines Azacyclic compounds Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-phenylpyrimidine - Benzamide - Benzoic acid or derivatives - Phenoxy compound - Benzoyl - Phenol ether - Aminopyrimidine - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - N-alkylpyrrolidine - Benzenoid - Heteroaromatic compound - Pyrrolidine - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Amino acid or derivatives - Trihalomethane - Carboxamide group - Secondary amine - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Halomethane - Alkyl halide - Organic oxide - Alkyl fluoride - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Amine - 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