Compound Identification
SMILES
CC1=NC(NC(=O)C2CC2)=NC(=C1)C1=CC(OC(F)(F)F)=CC=C1
InChIKey
InChIKey=PTNYVTFWJMKKAD-UHFFFAOYSA-N
Formula
C16H14F3N3O2
Mass
337.302
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Diazines
-
Subclass
Pyrimidines and pyrimidine derivatives
- Level 5 Phenylpyrimidines
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Subclass
Pyrimidines and pyrimidine derivatives
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Class
Diazines
-
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
Phenoxy compounds Phenol ethers N-arylamides Cyclopropanecarboxylic acids and derivatives Heteroaromatic compounds Trihalomethanes Secondary carboxylic acid amides Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-phenylpyrimidine - Phenoxy compound - Phenol ether - N-arylamide - Monocyclic benzene moiety - Cyclopropanecarboxylic acid or derivatives - Benzenoid - Heteroaromatic compound - Carboxamide group - Trihalomethane - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Halomethane - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxide - Alkyl fluoride - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Alkyl halide - 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