Compound Identification
SMILES
COC1=C(C=C(C=C1)N1CCN(C)CC1)C1=C2N=CC(=C(N)N2N=C1)C1=CC=C(OCC2=CC=CC=C2)C=C1
InChIKey
InChIKey=ORTLNLBLAVVQIO-UHFFFAOYSA-N
Formula
C31H32N6O2
Mass
520.637
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 Phenylpyrazoles Aminophenyl ethers Pyrazolo[1,5-a]pyrimidines Methoxyanilines Anisoles Dialkylarylamines Methoxybenzenes Phenoxy compounds Aminopyrimidines and derivatives Alkyl aryl ethers N-methylpiperazines Heteroaromatic compounds Trialkylamines Azacyclic compounds Hydrocarbon derivatives Primary amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylpiperazine - 5-phenylpyrimidine - N-arylpiperazine - Phenylpyrazole - Aminophenyl ether - Pyrazolo[1,5-a]pyrimidine - Pyrazolopyrimidine - Methoxyaniline - Anisole - Phenol ether - Phenoxy compound - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Methoxybenzene - N-methylpiperazine - Alkyl aryl ether - Aminopyrimidine - N-alkylpiperazine - Monocyclic benzene moiety - Piperazine - Benzenoid - 1,4-diazinane - Pyrazole - Azole - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Azacycle - Ether - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Amine - Organic nitrogen compound - Organic oxygen compound - Primary 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