(6-Amino-3h-purin-3-yl)methyl 2,2-dimethylpropanoate
Basic information
- CAS
81619-09-2- Standard SMILES
CC(C)(C)C(=O)OCn1cnc(=N)c2[nH]cnc21- InChIKey
RNDGSOFUHJLNGV-UHFFFAOYSA-N- Molecular formula
- C11H15N5O2
- Average molar mass
- 249.27 g/mol
- Monoisotopic mass
- 249.12257474
Names & identifiers
- Preferred name
- (6-Amino-3h-purin-3-yl)methyl 2,2-dimethylpropanoate
- IUPAC
- (6-imino-7H-purin-3-yl)methyl 2,2-dimethylpropanoate
Names & synonyms
81619-09-2(6-amino-3h-purin-3-yl)methyl 2,2-dimethylpropanoateNSC163552DTXSID401002093NSC-163552
Database identifiers
- CAS
81619-09-2- PubChem CID
- 135413032
- DTXSID
DTXSID401002093
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 94.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 387
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Compound notes
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