237435-45-9
4H-PYRROLO[3,2-D]PYRIMIDIN-4-ONE, 6-(4-FLUOROPHENYL)-3,5-DIHYDRO-2-METHYL-
Name4H-PYRROLO[3,2-D]PYRIMIDIN-4-ONE, 6-(4-FLUOROPHENYL)-3,5-DIHYDRO-2-METHYL-
1Identification
【Name】
4H-PYRROLO[3,2-D]PYRIMIDIN-4-ONE, 6-(4-FLUOROPHENYL)-3,5-DIHYDRO-2-METHYL-
【CAS】
【MDL】
MFCD17018616
【English Synonyms】
【Formula】
C13 H10 F N3 O
【MolWeight】
243.24
【Inchi】
InChI=1S/C13H10FN3O/c1-7-15-11-6-10(17-12(11)13(18)16-7)8-2-4-9(14)5-3-8/h2-6,17H,1H3,(H,15,16,18)
【InChIKey】
InChIKey=VDQWUIAJHCHDRZ-UHFFFAOYSA-N
【SMILES】
Cc1[nH]c(=O)c2c(n1)cc([nH]2)c3ccc(cc3)F
【MOL File】
4H-PYRROLO[3,2-D]PYR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4H-PYRROLO[3,2-D]PYRIMIDIN-4-ONE, 6-(4-FLUOROPHENYL)-3,5-DIHYDRO-2-METHYL-.cml