Molecule ID: 15953949

IUPAC Name: [(1S,4R)-4-[2-amino-6-(azetidin-1-yl)purin-9-yl]cyclopent-2-en-1-yl]methanol

Description: The molecule is a 2,6-diaminopurine that is an analogue of abacavir in which the cyclopropylamino group at position 6 of the purine moiety is replaced by an azetidin-1-yl group. One of a series of synthesised abacavir analogues with antiviral activity found to stimulate IFN-gamma secretion in abacavir-responsive clones. It has a role as an antiviral agent. It derives from an abacavir.

SMILES: N=c1nc2c(ncn2[C@H]2C=C[C@@H](CO)C2)c(N2CCC2)[nH]1

SELFIES: [N][=C][N][=C][C][Branch1][P][N][=C][N][Ring1][Branch1][C@H1][C][=C][C@@H1][Branch1][Ring1][C][O][C][Ring1][#Branch1][=C][Branch1][#Branch1][N][C][C][C][Ring1][Ring2][NH1][Ring2][Ring1][Ring2]

InChI: InChI=1S/C14H18N6O/c15-14-17-12(19-4-1-5-19)11-13(18-14)20(8-16-11)10-3-2-9(6-10)7-21/h2-3,8-10,21H,1,4-7H2,(H2,15,17,18)/t9-,10+/m1/s1

Molecular Properties:
- Polar Surface Area: 93.1 Ų
- LogP: 0.6