N-[(3,4-dichlorophenyl)methyl]-9-(oxan-2-yl)purin-6-amine
Basic information
- CAS
6276-73-9- Standard SMILES
Clc1ccc(CNc2ncnc3c2ncn3C2CCCCO2)cc1Cl- InChIKey
HDAJSKIAZVRSAM-UHFFFAOYSA-N- Molecular formula
- C17H17Cl2N5O
- Average molar mass
- 378.3 g/mol
- Monoisotopic mass
- 377.0810156
Names & identifiers
- Preferred name
- N-[(3,4-dichlorophenyl)methyl]-9-(oxan-2-yl)purin-6-amine
- IUPAC
- N-[(3,4-dichlorophenyl)methyl]-9-(oxan-2-yl)purin-6-amine
Names & synonyms
NSC35860NSC-358606276-73-9DS-0094209H-PURIN-6-AMINE,N-[(3,4-DICHLOROPHENYL)METHYL]-9-(TETRAHYDRO-2H-PYRAN-2-YL)-
Database identifiers
- CAS
6276-73-9- PubChem CID
- 234971
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 64.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 445
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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