Basic information
- CAS
537667-44-0- Standard SMILES
Cc1ccccc1/C=N/Nc1ncnc2nc[nH]c12- InChIKey
VKZLPWGVEXGHAD-NGYBGAFCSA-N- Molecular formula
- C13H12N6
- Average molar mass
- 252.27 g/mol
- Monoisotopic mass
- 252.11234441
Names & identifiers
- Preferred name
- (E)-6-(2-(2-methylbenzylidene)hydrazinyl)-9H-purine
- IUPAC
- N-[(E)-(2-methylphenyl)methylideneamino]-7H-purin-6-amine
Names & synonyms
537667-44-06-[(E)-2-[(2-METHYLPHENYL)METHYLIDENE]HYDRAZIN-1-YL]-9H-PURINE(E)-6-(2-(2-methylbenzylidene)hydrazinyl)-9H-purineN-[(E)-(2-methylphenyl)methylideneamino]-7H-purin-6-amineCHEMBL3210621DTXSID101322686AKOS002203911ST50139473AB00668666-01N-[(E)-o-tolylmethyleneamino]-1H-purin-6-amineSR-01000007353SR-01000007353-1
Show more names
[(1E)-2-(2-methylphenyl)-1-azavinyl]purin-6-ylamineF0578-01596-{(2E)-2-[(2-Methylphenyl)methylidene]hydrazinyl}-7H-purine
Database identifiers
- CAS
537667-44-0- PubChem CID
- 9692425
- DTXSID
DTXSID101322686- ChEMBL
CHEMBL3210621
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 320
Experimental & physicochemical properties
Solubility35.4 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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