150726-79-7
5-(2-METHOXYPHENOXY)-[2,2'-BIPYRIMIDINE]-4,6(1H,5H)-DIONE
Name5-(2-METHOXYPHENOXY)-[2,2'-BIPYRIMIDINE]-4,6(1H,5H)-DIONE
1Identification
【Name】
5-(2-METHOXYPHENOXY)-[2,2'-BIPYRIMIDINE]-4,6(1H,5H)-DIONE
【CAS】
【MDL】
MFCD09879703
【English Synonyms】
【Formula】
C15 H12 N4 O4
【MolWeight】
312.284
【Inchi】
InChI=1S/C15H12N4O4/c1-22-9-5-2-3-6-10(9)23-11-14(20)18-13(19-15(11)21)12-16-7-4-8-17-12/h2-8,11H,1H3,(H,18,19,20,21)
【InChIKey】
InChIKey=ZJMPECSQUMNGPA-UHFFFAOYSA-N
【SMILES】
COc1ccccc1OC2C(=O)NC(=NC2=O)c3ncccn3
【MOL File】
5-(2-METHOXYPHENOXY)….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:8
XLogP3:0.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
5-(2-METHOXYPHENOXY)-[2,2'-BIPYRIMIDINE]-4,6(1H,5H)-DIONE.cml