916486-06-1
ETHYL 2-(2-(METHYLAMINO)PYRIMIDIN-4-YL)-1H-INDOLE-5-CARBOXYLATE
NameETHYL 2-(2-(METHYLAMINO)PYRIMIDIN-4-YL)-1H-INDOLE-5-CARBOXYLATE
1Identification
【Name】
ETHYL 2-(2-(METHYLAMINO)PYRIMIDIN-4-YL)-1H-INDOLE-5-CARBOXYLATE
【CAS】
【MDL】
MFCD17018712
【English Synonyms】
【Formula】
C16 H16 N4 O2
【MolWeight】
296.328
【Inchi】
InChI=1S/C16H16N4O2/c1-3-22-15(21)10-4-5-12-11(8-10)9-14(19-12)13-6-7-18-16(17-2)20-13/h4-9,19H,3H2,1-2H3,(H,17,18,20)
【InChIKey】
InChIKey=RRQRYXWYEZKEBT-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1ccc2c(c1)cc([nH]2)c3ccnc(n3)NC
【MOL File】
ETHYL 2-(2-(METHYLAM….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:2.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
ETHYL 2-(2-(METHYLAMINO)PYRIMIDIN-4-YL)-1H-INDOLE-5-CARBOXYLATE.cml