Compound Identification
SMILES
OC(=O)C(F)(F)F.CCN(CC)CCNC1=NC(=C2CNC(=O)N(C2=N1)C1=C(F)C=CC=C1F)C1=CC=CC=C1C
InChIKey
InChIKey=PCBJKZBNSZQBKE-UHFFFAOYSA-N
Formula
C27H29F5N6O3
Mass
580.56
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
Toluenes Pyrimidones Aminopyrimidines and derivatives Fluorobenzenes Aryl fluorides Imidolactams Alpha-halocarboxylic acids Heteroaromatic compounds Ureas Trialkylamines Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides Organopnictogen compounds Alkyl fluorides
Molecular Framework
Not available
Substituents
4-phenylpyrimidine - Aminopyrimidine - Fluorobenzene - Halobenzene - Toluene - Pyrimidone - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Imidolactam - Benzenoid - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Heteroaromatic compound - Urea - Tertiary aliphatic amine - Tertiary amine - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carboxylic acid - Organic nitrogen compound - Alkyl fluoride - Alkyl halide - Organohalogen compound - Carbonyl group - Organofluoride - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Amine - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - 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