Molecule ID: 126559187

IUPAC Name: [(1S,4R)-4-[2-amino-6-(3-fluoroazetidin-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 a 3-fluoroazetidin-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(N2CC(F)C2)[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][#Branch2][N][C][C][Branch1][C][F][C][Ring1][Branch1][NH1][Ring2][Ring1][Branch1]

InChI: InChI=1S/C14H17FN6O/c15-9-4-20(5-9)12-11-13(19-14(16)18-12)21(7-17-11)10-2-1-8(3-10)6-22/h1-2,7-10,22H,3-6H2,(H2,16,18,19)/t8-,10+/m1/s1

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