Compound Identification
SMILES
CC(C)NC1=NC=C(C=N1)C1=CC=C(C=C1)[C@@](C)(C1CC1)C1=NOC(=N1)C1=CN(CC(=O)N(C)C)N=C1
InChIKey
InChIKey=KXQKCPIYJPBSDQ-MHZLTWQESA-N
Formula
C27H32N8O2
Mass
500.607
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
Secondary alkylarylamines Aminopyrimidines and derivatives Benzene and substituted derivatives Tertiary carboxylic acid amides Pyrazoles Heteroaromatic compounds 1,2,4-oxadiazoles Tertiary amines Amino acids and derivatives Oxacyclic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
5-phenylpyrimidine - Aminopyrimidine - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Azole - Tertiary carboxylic acid amide - 1,2,4-oxadiazole - Pyrazole - Oxadiazole - Amino acid or derivatives - Tertiary amine - Carboxamide group - Oxacycle - Azacycle - Secondary amine - Carboxylic acid derivative - Organic oxide - Carbonyl group - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen 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