Basic information
- CAS
669774-85-0- Standard SMILES
Nc1nc(Cl)c2ncn(Cc3ccccc3CCl)c2n1- InChIKey
BISIUVWWBLFLPM-UHFFFAOYSA-N- Molecular formula
- C13H11Cl2N5
- Average molar mass
- 308.16 g/mol
- Monoisotopic mass
- 307.0391508
Names & identifiers
- Preferred name
- 9H-Purin-2-amine, 6-chloro-9-[[2-(chloromethyl)phenyl]methyl]-
- IUPAC
- 6-chloro-9-[[2-(chloromethyl)phenyl]methyl]purin-2-amine
Names & synonyms
669774-85-06-Chloro-9-(2-(chloromethyl)benzyl)-9H-purin-2-amine6-chloro-9-{[2-(chloromethyl)phenyl]methyl}-9H-purin-2-amineNSC7233789H-Purin-2-amine, 6-chloro-9-[[2-(chloromethyl)phenyl]methyl]-CHEMBL1969769DTXSID70328081NSC-723378
Database identifiers
- CAS
669774-85-0- PubChem CID
- 405757
- DTXSID
DTXSID70328081- ChEMBL
CHEMBL1969769
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 332
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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