Compound Identification
SMILES
FC1=CC(=CC(=C1)N1CCOCC1)C1=NC(NC2=CC=C(C=C2)N2C=NC(=N2)C2=C(F)C=CC=N2)=NC=C1
InChIKey
InChIKey=UDHLQNMBPNGYRR-UHFFFAOYSA-N
Formula
C27H22F2N8O
Mass
512.525
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
Phenylmorpholines Pyridyl-1,2,4-triazoles Phenyl-1,2,4-triazoles Dialkylarylamines Aniline and substituted anilines Fluorobenzenes Aminopyrimidines and derivatives Aryl fluorides Heteroaromatic compounds Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylmorpholine - 4-phenylpyrimidine - Phenyltriazole - Phenyl-1,2,4-triazole - Pyridyltriazole - Pyridyl-1,2,4-triazole - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Aminopyrimidine - Halobenzene - Fluorobenzene - Benzenoid - Aryl fluoride - Morpholine - Aryl halide - Oxazinane - Pyridine - Monocyclic benzene moiety - Heteroaromatic compound - Azole - Triazole - 1,2,4-triazole - Tertiary amine - Oxacycle - Azacycle - Dialkyl ether - Ether - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Amine - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen 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