Compound Identification
SMILES
COCCOC1=CC=C(C=C1)C1=NC(=NC=C1)N(C(=O)C1(F)CCNCC1)C1(C)CCN2CCC1CC2
InChIKey
InChIKey=XCMQGHPRLNKMGM-UHFFFAOYSA-N
Formula
C28H38FN5O3
Mass
511.642
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
Piperidinecarboxamides Phenol ethers Phenoxy compounds Alkyl aryl ethers Azepanes Heteroaromatic compounds Tertiary carboxylic acid amides Amino acids and derivatives Trialkylamines Dialkylamines Dialkyl ethers Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - Piperidinecarboxamide - Phenoxy compound - Phenol ether - Alkyl aryl ether - Azepane - Monocyclic benzene moiety - Benzenoid - Piperidine - Heteroaromatic compound - Tertiary carboxylic acid amide - Tertiary aliphatic amine - Amino acid or derivatives - Carboxamide group - Tertiary amine - Secondary amine - Azacycle - Ether - Carboxylic acid derivative - Dialkyl ether - Secondary aliphatic amine - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Alkyl halide - Alkyl fluoride - 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