1195557-02-8
5-METHYL-2-PHENYL-5H-PYRROLO[3,2-D]PYRIMIDIN-7(6H)-ONE
Name5-METHYL-2-PHENYL-5H-PYRROLO[3,2-D]PYRIMIDIN-7(6H)-ONE
1Identification
【Name】
5-METHYL-2-PHENYL-5H-PYRROLO[3,2-D]PYRIMIDIN-7(6H)-ONE
【CAS】
【MDL】
MFCD17012953
【English Synonyms】
【Formula】
C13 H11 N3 O
【MolWeight】
225.25
【Inchi】
InChI=1S/C13H11N3O/c1-16-8-11(17)12-10(16)7-14-13(15-12)9-5-3-2-4-6-9/h2-7H,8H2,1H3
【InChIKey】
InChIKey=BHBPKDJPQXTCFN-UHFFFAOYSA-N
【SMILES】
CN1CC(=O)c2c1cnc(n2)c3ccccc3
【MOL File】
5-METHYL-2-PHENYL-5H….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-METHYL-2-PHENYL-5H-PYRROLO[3,2-D]PYRIMIDIN-7(6H)-ONE.cml