Compound Identification
SMILES
CC(C)CN1C[C@H]2C[C@@H]1CN2C1=CC(F)=C(C(F)=C1)C1=CC=NC2=C(C(=NN12)C1=CC=NC=C1)C1=C2C=NNC2=CC=C1
InChIKey
InChIKey=KXODPPGRRVGQDI-DHIUTWEWSA-N
Formula
C33H30F2N8
Mass
576.656
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
N-arylpiperazines Phenylpiperazines Phenylpyrrolidines Indazoles Pyrazolo[1,5-a]pyrimidines Aniline and substituted anilines Dialkylarylamines Fluorobenzenes N-alkylpiperazines N-alkylpyrrolidines Aryl fluorides Pyridines and derivatives Heteroaromatic compounds Pyrroles Pyrazoles Trialkylamines Azacyclic compounds Hydrocarbon derivatives Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylpiperazine - 4-phenylpyrimidine - N-arylpiperazine - 1-phenylpyrrolidine - Benzopyrazole - Pyrazolo[1,5-a]pyrimidine - Indazole - Pyrazolopyrimidine - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Fluorobenzene - Halobenzene - N-alkylpiperazine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - 1,4-diazinane - Benzenoid - Piperazine - N-alkylpyrrolidine - Pyridine - Heteroaromatic compound - Azole - Pyrazole - Pyrrole - Pyrrolidine - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Amine - Organic nitrogen 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