266347-94-8
3,5-DIHYDRO-7-(3-METHYLPHENOXY)-4H-PYRROLO[3,2-D]PYRIMIDIN-4-ONE
Name3,5-DIHYDRO-7-(3-METHYLPHENOXY)-4H-PYRROLO[3,2-D]PYRIMIDIN-4-ONE
1Identification
【Name】
3,5-DIHYDRO-7-(3-METHYLPHENOXY)-4H-PYRROLO[3,2-D]PYRIMIDIN-4-ONE
【CAS】
【MDL】
MFCD17013904
【English Synonyms】
【Formula】
C13 H11 N3 O2
【MolWeight】
241.249
【Inchi】
InChI=1S/C13H11N3O2/c1-8-3-2-4-9(5-8)18-10-6-14-12-11(10)15-7-16-13(12)17/h2-7,14H,1H3,(H,15,16,17)
【InChIKey】
InChIKey=HUTUPTXDKGQBGE-UHFFFAOYSA-N
【SMILES】
Cc1cccc(c1)Oc2c[nH]c3c2nc[nH]c3=O
【MOL File】
3,5-DIHYDRO-7-(3-MET….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3,5-DIHYDRO-7-(3-METHYLPHENOXY)-4H-PYRROLO[3,2-D]PYRIMIDIN-4-ONE.cml