Molecule ID: 146026604

IUPAC Name: [(1S,4R)-4-[2-amino-6-(2-methylpropylamino)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 isobutylamino 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: CC(C)CNc1[nH]c(=N)nc2c1ncn2[C@H]1C=C[C@@H](CO)C1

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

InChI: InChI=1S/C15H22N6O/c1-9(2)6-17-13-12-14(20-15(16)19-13)21(8-18-12)11-4-3-10(5-11)7-22/h3-4,8-11,22H,5-7H2,1-2H3,(H3,16,17,19,20)/t10-,11+/m1/s1

Molecular Properties:
- Polar Surface Area: 102.0 Ų
- LogP: 1.6