Ethyl 2-[3-Fluoro-4-(4-methyl-imidazol-1-yl)-phenylamino]-4-(4-fluoromethyl-phenyl)-pyrimidine-5-carboxylate

HCID 86690901

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CCOC(=O)c1cnc(Nc2ccc(-n3cnc(C)c3)c(F)c2)nc1-c1ccc(CF)cc1
InChIKey: XJVCQXXKIXRINA-UHFFFAOYSA-N
Molecular formula: C24H21F2N5O2
Average molar mass: 449.5 g/mol

Names & identifiers

Preferred name: Ethyl 2-[3-Fluoro-4-(4-methyl-imidazol-1-yl)-phenylamino]-4-(4-fluoromethyl-phenyl)-pyrimidine-5-carboxylate
IUPAC: ethyl 2-[3-fluoro-4-(4-methylimidazol-1-yl)anilino]-4-[4-(fluoromethyl)phenyl]pyrimidine-5-carboxylate

Names & synonyms

SCHEMBL15124937XJVCQXXKIXRINA-UHFFFAOYSA-NEthyl 2-[3-Fluoro-4-(4-methyl-imidazol-1-yl)-phenylamino]-4-(4-fluoromethyl-phenyl)-pyrimidine-5-carboxylate

Database identifiers

PubChem CID: 86690901

Properties

Computed structural properties

XLogP: 4.4
Topological polar surface area: 81.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 8
Rotatable bonds: 8
Heavy atoms: 33
Formal charge: 0
Complexity: 636

Related reactions

1 records

New reaction record

HRID 1855374As productuspto-grants-2015_02

Compound notes

Loading…