6-Chloro-N,N,9-trimethyl-9H-purin-2-amine
Basic information
- CAS
2697-28-1- Standard SMILES
CN(C)c1nc(Cl)c2ncn(C)c2n1- InChIKey
RRIULZSAUXFORH-UHFFFAOYSA-N- Molecular formula
- C8H10ClN5
- Average molar mass
- 211.65 g/mol
- Monoisotopic mass
- 211.062473
Names & identifiers
- Preferred name
- 6-Chloro-N,N,9-trimethyl-9H-purin-2-amine
- IUPAC
- 6-chloro-N,N,9-trimethylpurin-2-amine
Names & synonyms
6-Chloro-N,N,9-trimethyl-9H-purin-2-amineDTXSID009497439H-Purin-2-amine, 6-chloro-N,N,9-trimethyl-RefChem:308071DTXCID101377924InChI=1/C8H10ClN5/c1-13(2)8-11-6(9)5-7(12-8)14(3)4-10-5/h4H,1-3H2697-28-1
Database identifiers
- CAS
2697-28-1- PubChem CID
- 165016
- DTXSID
DTXSID00949743
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 46.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 212
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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