Basic information
- CAS
92580-99-9- Standard SMILES
CC(C)Cn1cnc2c(SCc3ccccn3)nc(N)nc21- InChIKey
LXDUJBPGPHPPDF-UHFFFAOYSA-N- Molecular formula
- C15H18N6S
- Average molar mass
- 314.4 g/mol
- Monoisotopic mass
- 314.13136577
Names & identifiers
- Preferred name
- 9-(2-Methylpropyl)-6-(pyridin-2-ylmethylsulfanyl)purin-2-amine
- IUPAC
- 9-(2-methylpropyl)-6-(pyridin-2-ylmethylsulfanyl)purin-2-amine
Names & synonyms
92580-99-9NSC52445MLS0026675379-Isobutyl-6-((pyridin-2-ylmethyl)thio)-9H-purin-2-amineNSC-524459-(2-methylpropyl)-6-(pyridin-2-ylmethylsulfanyl)purin-2-amineHMS3080C08CHEMBL1741923DTXSID30287766NCI52445CCG-36862NCGC00013650
Show more names
NCGC00013650-02NCGC00096762-01NCI60_004279SMR001557303DS-0093079-isobutyl-6-((2-pyridinylmethyl)thio)-9H-purin-2-amine9-(2-Methylpropyl)-6-{[(pyridin-2-yl)methyl]sulfanyl}-9H-purin-2-amine
Database identifiers
- CAS
92580-99-9- PubChem CID
- 243159
- DTXSID
DTXSID30287766- ChEMBL
CHEMBL1741923
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 355
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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