Basic information
- Standard SMILES
CCC(CC)Nc1nc(C#CC2(O)CCCC(C)C2)nc2nc[nH]c12- InChIKey
GJFYUTQGWGXVHB-UHFFFAOYSA-N- Molecular formula
- C19H27N5O
- Average molar mass
- 341.5 g/mol
Names & identifiers
- Preferred name
- 3-methyl-1-[2-[6-(pentan-3-ylamino)-7H-purin-2-yl]ethynyl]cyclohexan-1-ol
- IUPAC
- 3-methyl-1-[2-[6-(pentan-3-ylamino)-7H-purin-2-yl]ethynyl]cyclohexan-1-ol
Names & synonyms
SCHEMBL3959966
Database identifiers
- PubChem CID
- 68855337
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 86.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 510
Related reactions
1 records
Compound notes
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