Compound Identification
SMILES
CN(C1=CC=C(OC(F)(F)F)C=C1)C1=NC=NC(=C1)C1=CC(=CC=C1)C(O)=O
InChIKey
InChIKey=RUOVTHPVFPUQFQ-UHFFFAOYSA-N
Formula
C19H14F3N3O3
Mass
389.334
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
Alkyldiarylamines Benzoic acids Phenoxy compounds Phenol ethers Aniline and substituted anilines Benzoyl derivatives Aminopyrimidines and derivatives Imidolactams Heteroaromatic compounds Trihalomethanes Azacyclic compounds Carboxylic acids Alkyl fluorides Organic oxides Organofluorides Hydrocarbon derivatives Organooxygen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-phenylpyrimidine - Alkyldiarylamine - Benzoic acid or derivatives - Benzoic acid - Phenoxy compound - Benzoyl - Phenol ether - Aniline or substituted anilines - Aminopyrimidine - Imidolactam - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Trihalomethane - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organic oxide - Organofluoride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Alkyl halide - Alkyl fluoride - Organic nitrogen compound - Amine - Organic oxygen compound - Hydrocarbon derivative - Halomethane - 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