101155-02-6
9-((2-FLUOROPHENYL)METHYL)-N-METHYL-9H-PURIN-6-AMINE
Name9-((2-FLUOROPHENYL)METHYL)-N-METHYL-9H-PURIN-6-AMINE
1Identification
【Name】
9-((2-FLUOROPHENYL)METHYL)-N-METHYL-9H-PURIN-6-AMINE
【CAS】
【MDL】
MFCD01694523
【English Synonyms】
【Formula】
C13 H12 F N5
【MolWeight】
257.271
【Inchi】
InChI=1S/C13H12FN5/c1-15-12-11-13(17-7-16-12)19(8-18-11)6-9-4-2-3-5-10(9)14/h2-5,7-8H,6H2,1H3,(H,15,16,17)
【InChIKey】
InChIKey=MZABAGHILOTTOD-UHFFFAOYSA-N
【SMILES】
CNc1c2c(ncn1)n(cn2)Cc3ccccc3F
【MOL File】
9-((2-FLUOROPHENYL)M….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
9-((2-FLUOROPHENYL)METHYL)-N-METHYL-9H-PURIN-6-AMINE.cml