54108-36-0
ETHYL 4-[(3-ACETYLOXYPYRIDIN-2-YL)AMINO]-2-PHENYLPYRIMIDINE-5-CARBOXYLATE
NameETHYL 4-[(3-ACETYLOXYPYRIDIN-2-YL)AMINO]-2-PHENYLPYRIMIDINE-5-CARBOXYLATE
1Identification
【Name】
ETHYL 4-[(3-ACETYLOXYPYRIDIN-2-YL)AMINO]-2-PHENYLPYRIMIDINE-5-CARBOXYLATE
【CAS】
【MDL】
MFCD16660571
【English Synonyms】
【Formula】
C20 H18 N4 O4
【MolWeight】
378.386
【Inchi】
InChI=1S/C20H18N4O4/c1-3-27-20(26)15-12-22-17(14-8-5-4-6-9-14)23-18(15)24-19-16(28-13(2)25)10-7-11-21-19/h4-12H,3H2,1-2H3,(H,21,22,23,24)
【InChIKey】
InChIKey=TZJVVVUCVOWSOP-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1cnc(nc1Nc2c(cccn2)OC(=O)C)c3ccccc3
【MOL File】
ETHYL 4-[(3-ACETYLOX….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:8
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ETHYL 4-[(3-ACETYLOXYPYRIDIN-2-YL)AMINO]-2-PHENYLPYRIMIDINE-5-CARBOXYLATE.cml