54746-42-8
6-AMINO-1,3-DIHYDRO-8-METHYL-2H-PURIN-2-ONE
Name6-AMINO-1,3-DIHYDRO-8-METHYL-2H-PURIN-2-ONE
1Identification
【Name】
6-AMINO-1,3-DIHYDRO-8-METHYL-2H-PURIN-2-ONE
【CAS】
【MDL】
MFCD21362628
【English Synonyms】
【Formula】
C6 H7 N5 O
【MolWeight】
165.155
【Inchi】
InChI=1S/C6H7N5O/c1-2-8-3-4(7)10-6(12)11-5(3)9-2/h1H3,(H4,7,8,9,10,11,12)
【InChIKey】
InChIKey=VGHDLROXKGLEML-UHFFFAOYSA-N
【SMILES】
Cc1nc-2c([nH]c(=O)[nH]c2n1)N
【MOL File】
6-AMINO-1,3-DIHYDRO-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:6
XLogP3:-1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
6-AMINO-1,3-DIHYDRO-8-METHYL-2H-PURIN-2-ONE.cml