871024-11-2
(4-PHENOXY-5H-PYRROLO[3,2-D]PYRIMIDIN-6-YL)METHANOL
Name(4-PHENOXY-5H-PYRROLO[3,2-D]PYRIMIDIN-6-YL)METHANOL
1Identification
【Name】
(4-PHENOXY-5H-PYRROLO[3,2-D]PYRIMIDIN-6-YL)METHANOL
【CAS】
【MDL】
MFCD17013005
【English Synonyms】
【Formula】
C13 H11 N3 O2
【MolWeight】
241.249
【Inchi】
InChI=1S/C13H11N3O2/c17-7-9-6-11-12(16-9)13(15-8-14-11)18-10-4-2-1-3-5-10/h1-6,8,16-17H,7H2
【InChIKey】
InChIKey=CWMANEOTBDGBDM-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)Oc2c3c(cc([nH]3)CO)ncn2
【MOL File】
(4-PHENOXY-5H-PYRROL….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
(4-PHENOXY-5H-PYRROLO[3,2-D]PYRIMIDIN-6-YL)METHANOL.cml