77995-12-1
ETHYL 2-ANILINO-4-(4-FLUOROPHENYL)PYRIMIDINE-5-CARBOXYLATE
NameETHYL 2-ANILINO-4-(4-FLUOROPHENYL)PYRIMIDINE-5-CARBOXYLATE
1Identification
【Name】
ETHYL 2-ANILINO-4-(4-FLUOROPHENYL)PYRIMIDINE-5-CARBOXYLATE
【CAS】
【MDL】
MFCD16660640
【English Synonyms】
【Formula】
C19 H16 F N3 O2
【MolWeight】
337.352
【Inchi】
InChI=1S/C19H16FN3O2/c1-2-25-18(24)16-12-21-19(22-15-6-4-3-5-7-15)23-17(16)13-8-10-14(20)11-9-13/h3-12H,2H2,1H3,(H,21,22,23)
【InChIKey】
InChIKey=SNKVPJAGERYROX-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1cnc(nc1c2ccc(cc2)F)Nc3ccccc3
【MOL File】
ETHYL 2-ANILINO-4-(4….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ETHYL 2-ANILINO-4-(4-FLUOROPHENYL)PYRIMIDINE-5-CARBOXYLATE.cml