Compound Identification
SMILES
COC1=CC(=C(OC)C=C1)C1=NC(=NC(=C1)C1=CC=NC=C1)N1CCN(CC1)C1=CC=CC=C1
InChIKey
InChIKey=UVVICWNZOHCZIU-UHFFFAOYSA-N
Formula
C27H27N5O2
Mass
453.546
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 Dimethoxybenzenes Phenoxy compounds Dialkylarylamines Anisoles Aniline and substituted anilines Aminopyrimidines and derivatives Alkyl aryl ethers Pyridines and derivatives Heteroaromatic compounds Azacyclic compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylpiperazine - 4-phenylpyrimidine - N-arylpiperazine - P-dimethoxybenzene - Dimethoxybenzene - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Aniline or substituted anilines - Dialkylarylamine - Alkyl aryl ether - Aminopyrimidine - Monocyclic benzene moiety - 1,4-diazinane - Benzenoid - Piperazine - Pyridine - Heteroaromatic compound - Tertiary amine - Ether - Azacycle - Organooxygen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic 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