9-(2-(2,2-Dimethyl-1,3-dioxolan-4-yl)ethyl)-9H-purin-6-amine
Basic information
- CAS
55559-78-9- Standard SMILES
CC1(C)OCC(CCn2cnc3c(N)ncnc32)O1- InChIKey
BBPRNJAACUZFTD-UHFFFAOYSA-N- Molecular formula
- C12H17N5O2
- Average molar mass
- 263.3 g/mol
- Monoisotopic mass
- 263.1382248
Names & identifiers
- Preferred name
- 9-(2-(2,2-Dimethyl-1,3-dioxolan-4-yl)ethyl)-9H-purin-6-amine
- IUPAC
- 9-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]purin-6-amine
Names & synonyms
55559-78-99-(2-(2,2-Dimethyl-1,3-dioxolan-4-yl)ethyl)-9H-purin-6-amine9-[2-(2,2-Dimethyl-1,3-dioxolan-4-yl)ethyl]-9H-purin-6-amineSCHEMBL987717DTXSID70500042
Database identifiers
- CAS
55559-78-9- PubChem CID
- 12486299
- DTXSID
DTXSID70500042
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 88.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 327
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Compound notes
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