Compound Identification
SMILES
OCC1=CN=C2C=C(OC3=NC=NC(=C3)C3=CC=C(C=C3)C(F)(F)F)C=CC2=C1
InChIKey
InChIKey=QMEMKMHLAGOONX-UHFFFAOYSA-N
Formula
C21H14F3N3O2
Mass
397.357
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
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
Diarylethers Trifluoromethylbenzenes Quinolines and derivatives Phenol ethers Pyridines and derivatives Heteroaromatic compounds Azacyclic compounds Primary alcohols Organonitrogen compounds Organofluorides Hydrocarbon derivatives Aromatic alcohols Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - Diaryl ether - Trifluoromethylbenzene - Quinoline - Phenol ether - Monocyclic benzene moiety - Benzenoid - Pyridine - Heteroaromatic compound - Ether - Azacycle - Alkyl fluoride - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alcohol - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Primary alcohol - Aromatic alcohol - 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