6-de(cyclopropylamino)-6-(isobutylamino)abacavir
CHEBI:149437
·resolve ·ANTIVIRAL
·EXACT
SEEDED
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-γ secretion in abacavir-responsive clones. — ChEBI
Machine-generated and unreviewed. Identity, structure and
cross-references come straight from ChEBI's and CARD's own data; no curator has
signed off on this record yet.
Classification
Strictly broader compounds or drug classes this molecule belongs to.
Chemical structure
Computed structure properties
| Molecular formula | C15H22N6O |
|---|
| Charge | 0 |
|---|
| Average mass | 302.382 Da |
|---|
| Monoisotopic mass | 302.18551 Da |
|---|
| Source | ChEBI |
|---|
| InChIKey | UHZARYILKCVWLR-MNOVXSKESA-N |
|---|
SMILES
CC(C)CNc1nc(N)nc2c1ncn2[C@H]1C=C[C@@H](CO)C1
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
Also called
- [(1S,4R)-4-{2-amino-6-[(2-methylpropyl)amino]-9H-purin-9-yl}cyclopent-2-en-1-yl]methanol (EXACT_SYNONYM)— chebi
- (1S,4R)-4-[2-amino-6-[(2-methylpropyl)amino]-9H-purin-9-yl]-2-cyclopentene-1-methanol (EXACT_SYNONYM)— chebi
- {(1S,4R)-4-[2-amino-6-(isobutylamino)-9H-purin-9-yl]cyclopent-2-en-1-yl}methanol (EXACT_SYNONYM)— chebi
Activity roles
Every antimicrobial role a source asserts for this compound — the
unreduced evidence behind its antimicrobial_class.
Source concepts
Every upstream concept that resolved to this record. The merge is
the product: this is what shows ChEBI and CARD are describing the same structure.
Upstream concepts merged into this record
| Source | Native ID | Label | Minted CURIE | Version |
|---|
| CHEBI |
CHEBI:149437 |
6-de(cyclopropylamino)-6-(isobutylamino)abacavir |
antibioticmech:chebi-349b7b51b6 |
2026-08-30 |
Curation history
-
SEEDED_FROM_SOURCES
2026-08-30 · seed_from_sources
Seeded from data/raw/ inventories (CHEBI)
-
RESEEDED_FROM_SOURCES
2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories
-
RESEEDED_FROM_SOURCES
2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories
Provenance
Seeded by scripts/seed_from_sources.py from the committed
inventories in data/raw/.
View the record.