Compound Identification
SMILES
FC(F)(F)C1=CC(=NC2=CC(=NN12)C(=O)N1CCN(CC1)C12CC3CC(CC(C3)C1)C2)C1=CC=CC=C1
InChIKey
InChIKey=CBVXDGRVVNIPGI-UHFFFAOYSA-N
Formula
C28H30F3N5O
Mass
509.577
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
Pyrazolo[1,5-a]pyrimidines Pyrazole-5-carboxamides 2-heteroaryl carboxamides N-alkylpiperazines Benzene and substituted derivatives Tertiary carboxylic acid amides Heteroaromatic compounds Trialkylamines Amino acids and derivatives Azacyclic compounds Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - Pyrazolo[1,5-a]pyrimidine - Pyrazolopyrimidine - 2-heteroaryl carboxamide - Pyrazole-5-carboxamide - N-alkylpiperazine - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Benzenoid - Azole - Pyrazole - Heteroaromatic compound - Tertiary carboxylic acid amide - Tertiary aliphatic amine - Amino acid or derivatives - Tertiary amine - Carboxamide group - Azacycle - Carboxylic acid derivative - Amine - Organofluoride - Organohalogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Alkyl fluoride - Organic oxide - Hydrocarbon derivative - Alkyl halide - 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