Compound Identification
SMILES
C[C@H](NC1=NC(=CC(=N1)N1C=NC2=C1C=CC(=C2)C1=NC(N)=NC=C1)C1=CC=CC=C1CO)C1=CC(=CC=C1)C(F)(F)F
InChIKey
InChIKey=GYGKMYOOKIUWIG-SFHVURJKSA-N
Formula
C31H25F3N8O
Mass
582.591
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
Trifluoromethylbenzenes Benzimidazoles Benzyl alcohols Aminopyrimidines and derivatives N-substituted imidazoles Heteroaromatic compounds Azacyclic compounds Primary amines Primary alcohols Organofluorides Hydrocarbon derivatives Aromatic alcohols Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - Trifluoromethylbenzene - Benzimidazole - Benzyl alcohol - Aminopyrimidine - Monocyclic benzene moiety - Benzenoid - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Azacycle - Alcohol - Organonitrogen compound - Organofluoride - Organohalogen compound - Organooxygen compound - Primary alcohol - Primary amine - Aromatic alcohol - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Amine - Alkyl halide - Alkyl fluoride - 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