76360-76-4
ETHYL 4-ANILINO-2-PHENYLPYRIMIDINE-5-CARBOXYLATE
NameETHYL 4-ANILINO-2-PHENYLPYRIMIDINE-5-CARBOXYLATE
1Identification
【Name】
ETHYL 4-ANILINO-2-PHENYLPYRIMIDINE-5-CARBOXYLATE
【CAS】
【MDL】
MFCD00292764
【English Synonyms】
【Formula】
C19 H17 N3 O2
【MolWeight】
319.362
【Inchi】
InChI=1S/C19H17N3O2/c1-2-24-19(23)16-13-20-17(14-9-5-3-6-10-14)22-18(16)21-15-11-7-4-8-12-15/h3-13H,2H2,1H3,(H,20,21,22)
【InChIKey】
InChIKey=CNZHSDPTVCLPRY-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1cnc(nc1Nc2ccccc2)c3ccccc3
【MOL File】
ETHYL 4-ANILINO-2-PH….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 4-ANILINO-2-PHENYLPYRIMIDINE-5-CARBOXYLATE.cml