N,N-dimethyl-2-methylsulfanyl-5H-purin-6-amine
Basic information
- CAS
1681-11-4- Standard SMILES
CSC1=NC2=NC=NC2C(N(C)C)=N1- InChIKey
LAFAYPJHTOVJEM-UHFFFAOYSA-N- Molecular formula
- C8H11N5S
- Average molar mass
- 209.27 g/mol
- Monoisotopic mass
- 209.07351655
Names & identifiers
- Preferred name
- N,N-dimethyl-2-methylsulfanyl-5H-purin-6-amine
- IUPAC
- N,N-dimethyl-2-methylsulfanyl-5H-purin-6-amine
Names & synonyms
N,N-dimethyl-2-methylsulfanyl-5H-purin-6-amineDTXSID20328354N,N-Dimethyl-2-(methylsulfanyl)-5H-purin-6-amine
Database identifiers
- CAS
1681-11-4- PubChem CID
- 409499
- DTXSID
DTXSID20328354
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 78 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 366
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Compound notes
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