Methyl 2-(4-(4-(2-aminopyrimidin-5-yl)phenyl)-2-oxabicyclo[2.2.2]octan-1-yl)acetate
Basic information
- Standard SMILES
COC(=O)CC12CCC(c3ccc(-c4cnc(N)nc4)cc3)(CC1)CO2- InChIKey
IPUFTGFPDQHVDT-UHFFFAOYSA-N- Molecular formula
- C20H23N3O3
- Average molar mass
- 353.4 g/mol
Names & identifiers
- Preferred name
- Methyl 2-(4-(4-(2-aminopyrimidin-5-yl)phenyl)-2-oxabicyclo[2.2.2]octan-1-yl)acetate
- IUPAC
- methyl 2-[4-[4-(2-aminopyrimidin-5-yl)phenyl]-2-oxabicyclo[2.2.2]octan-1-yl]acetate
Names & synonyms
SCHEMBL15348273IPUFTGFPDQHVDT-UHFFFAOYSA-Nmethyl 2-(4-(4-(2-aminopyrimidin-5-yl)phenyl)-2-oxabicyclo[2.2.2]octan-1-yl)acetate
Database identifiers
- PubChem CID
- 86700829
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 87.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 502
Related reactions
2 records
Compound notes
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