Compound Identification
SMILES
CC1CN(CCN1C(=O)CN1C=CC2=C1N=CC=C2)C1=C(C=C(C=C1)C(F)(F)F)C1=CN=C(N=C1)N1CCC(O)CC1
InChIKey
InChIKey=MYOBPFLZCAHSMA-UHFFFAOYSA-N
Formula
C30H32F3N7O2
Mass
579.628
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
Phenylpiperazines N-arylpiperazines Trifluoromethylbenzenes Pyrrolopyridines Aniline and substituted anilines Dialkylarylamines Aminopyrimidines and derivatives Substituted pyrroles Pyridines and derivatives Piperidines Tertiary carboxylic acid amides Heteroaromatic compounds Secondary alcohols Amino acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylpiperazine - 5-phenylpyrimidine - N-arylpiperazine - Trifluoromethylbenzene - Pyrrolopyridine - Dialkylarylamine - Aniline or substituted anilines - Aminopyrimidine - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Piperidine - Pyridine - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Tertiary carboxylic acid amide - Amino acid or derivatives - Tertiary amine - Secondary alcohol - Carboxamide group - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Alkyl fluoride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Alcohol - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Alkyl halide - Amine - 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