Molecule ID: 501254

IUPAC Name: 1-[(5R)-5-hydroxyhexyl]-3,7-dimethylpurine-2,6-dione

Description: The molecule is a 1-(5-hydroxyhexyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione that has (R)-configuration. A synthetic small molecule which was under development for the treatment of type 1 diabetes mellitus. It has a role as an anti-inflammatory agent and an immunomodulator. It is an enantiomer of a (S)-lisofylline.

SMILES: C[C@@H](O)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O

SELFIES: [C][C@@H1][Branch1][C][O][C][C][C][C][N][C][=Branch1][C][=O][C][=C][Branch1][#Branch1][N][=C][N][Ring1][Branch1][C][N][Branch1][C][C][C][Ring1][N][=O]

InChI: InChI=1S/C13H20N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8-9,18H,4-7H2,1-3H3/t9-/m1/s1

Molecular Properties:
- Polar Surface Area: 78.7 Ų
- LogP: 0.7