Compound Identification
SMILES
COC1=CC=CC(=C1)C1=C(C)N(CC2=CC=CC=C2F)C2=NN=C(CN(C)CC3=CC=CO3)N2C1=O
InChIKey
InChIKey=KVBSGIYVBFWGIH-UHFFFAOYSA-N
Formula
C27H26FN5O3
Mass
487.535
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Diazines
-
Subclass
Pyrimidines and pyrimidine derivatives
- Level 5 Phenylpyrimidines
-
Subclass
Pyrimidines and pyrimidine derivatives
-
Class
Diazines
-
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
Triazolopyrimidines Anisoles Methoxybenzenes Phenoxy compounds Alkyl aryl ethers Aralkylamines Fluorobenzenes Pyrimidones Aryl fluorides Triazoles Heteroaromatic compounds Furans Vinylogous amides Lactams Trialkylamines Azacyclic compounds Oxacyclic compounds Organic oxides Hydrocarbon derivatives Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
5-phenylpyrimidine - Triazolopyrimidine - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Fluorobenzene - Halobenzene - Pyrimidone - Aralkylamine - Benzenoid - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - 1,2,4-triazole - Triazole - Heteroaromatic compound - Vinylogous amide - Azole - Furan - Tertiary aliphatic amine - Tertiary amine - Lactam - Oxacycle - Azacycle - Ether - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - 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