N-benzyl-9-methyl-9H-purin-6-amine
Basic information
- CAS
5440-16-4- Standard SMILES
Cn1cnc2c(NCc3ccccc3)ncnc21- InChIKey
WWWMKWQCRJJMPZ-UHFFFAOYSA-N- Molecular formula
- C13H13N5
- Average molar mass
- 239.28 g/mol
- Monoisotopic mass
- 239.11709544
Names & identifiers
- Preferred name
- N-benzyl-9-methyl-9H-purin-6-amine
- IUPAC
- N-benzyl-9-methylpurin-6-amine
- English name
- 6-BENZYLAMINO-9-METHYLPURINE
- Molecular formula
- C13H13N5
- Molecular weight
- 239.28
Names & synonyms
N-benzyl-9-methyl-9H-purin-6-amineN-benzyl-9-methylpurin-6-amine5440-16-4CHEMBL1310989H-purin-6-amine,9-methyl-n-(phenylmethyl)-NSC151916-BENZYLAMINO-9-METHYLPURINESCHEMBL4382069DTXSID70280054BDBM50056160NSC-15191AKOS015905350
Show more names
benzyl-(9-methylpurin-6-yl)amine9-methyl-N-(phenylmethyl)purin-6-amine9H-Purin-6-amine, 9-methyl-N-(phenylmethyl)-
EBC-612325(9-Methyl-9H-purin-6-yl)-benzylamineBenzyl-(9-methyl-9H-purin-6-yl)-amineDS-006177L002336Z990825978
Database identifiers
- CAS
5440-16-4- PubChem CID
- 225611
- DTXSID
DTXSID70280054- ChEMBL
CHEMBL131098
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 55.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 266
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Compound notes
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