Compound Identification
SMILES
CN1C(NCC[C@H](N)C2=CC=CC=C2)=NC(C2=CC=NC=C2)=C(C2=CC(C)=C(C)C=C2)C1=O
InChIKey
InChIKey=QEAMYPAEHJXVKE-QHCPKHFHSA-N
Formula
C27H29N5O
Mass
439.563
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
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
o-Xylenes Pyrimidones Aralkylamines Aminopyrimidines and derivatives Pyridines and derivatives Hydropyrimidines Heteroaromatic compounds Lactams Azacyclic compounds Organooxygen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
5-phenylpyrimidine - O-xylene - Xylene - Aminopyrimidine - Pyrimidone - Aralkylamine - Monocyclic benzene moiety - Hydropyrimidine - Pyridine - Benzenoid - Heteroaromatic compound - Lactam - Azacycle - Amine - Primary amine - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic oxide - Organic oxygen compound - Organic nitrogen compound - 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