Basic information
- Standard SMILES
Clc1nc(N=CN2CCCCC2)nc2nc[nH]c12- InChIKey
JXPQQMIOPMWRTB-UHFFFAOYSA-N- Molecular formula
- C11H13ClN6
- Average molar mass
- 264.71 g/mol
- Monoisotopic mass
- 264.0890221
Names & identifiers
- Preferred name
- 2-Piperidinomethyleneamino-6-chloropurine
- IUPAC
- N-(6-chloro-7H-purin-2-yl)-1-piperidin-1-ylmethanimine
Names & synonyms
SCHEMBL8371478SCHEMBL8371480JXPQQMIOPMWRTB-UHFFFAOYSA-N2-piperidinomethyleneamino-6-chloropurine
Database identifiers
- PubChem CID
- 53979998
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 70.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 306
Related reactions
4 records
Compound notes
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