Molecule ID: 135398634

IUPAC Name: 2-amino-1,7-dihydropurin-6-one

Description: The molecule is a 2-aminopurine carrying a 6-oxo substituent. It has a role as a human metabolite, an algal metabolite, a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite and a mouse metabolite. It is a purine nucleobase, an oxopurine and a member of 2-aminopurines. It derives from a hydride of a 9H-purine.

SMILES: N=c1nc(O)c2nc[nH]c2[nH]1

SELFIES: [N][=C][N][=C][Branch1][C][O][C][N][=C][NH1][C][=Ring1][Branch1][NH1][Ring1][#Branch2]

InChI: InChI=1S/C5H5N5O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)

Molecular Properties:
- Polar Surface Area: 96.2 Ų
- LogP: -1.1