6-methylsulfanyl-N-(1H-pyrrol-2-ylmethyl)purin-9-amine
Basic information
- CAS
57464-45-6- Standard SMILES
CSc1ncnc2c1ncn2NCc1ccc[nH]1- InChIKey
MXZMQCQTLGOXQS-UHFFFAOYSA-N- Molecular formula
- C11H12N6S
- Average molar mass
- 260.32 g/mol
- Monoisotopic mass
- 260.08441558
Names & identifiers
- Preferred name
- 6-methylsulfanyl-N-(1H-pyrrol-2-ylmethyl)purin-9-amine
- IUPAC
- 6-methylsulfanyl-N-(1H-pyrrol-2-ylmethyl)purin-9-amine
Names & synonyms
57464-45-66-methylsulfanyl-N-(1H-pyrrol-2-ylmethyl)purin-9-amineNSC166155DTXSID00304530NSC-1661556-(Methylsulfanyl)-N-[(1H-pyrrol-2-yl)methyl]-9H-purin-9-amine
Database identifiers
- CAS
57464-45-6- PubChem CID
- 296235
- DTXSID
DTXSID00304530
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 96.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 278
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Compound notes
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