Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CC(N2CCN(c3ncccn3)C(=O)C2)C1- InChIKey
ULDAMHWFSVAUSD-UHFFFAOYSA-N- Molecular formula
- C16H23N5O3
- Average molar mass
- 333.39 g/mol
- Monoisotopic mass
- 333.18008961
Names & identifiers
- Preferred name
- 3-(3-Oxo-4-pyrimidin-2-yl-piperazin-1-yl)-azetidine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 3-(3-oxo-4-pyrimidin-2-ylpiperazin-1-yl)azetidine-1-carboxylate
Names & synonyms
SCHEMBL901222ULDAMHWFSVAUSD-UHFFFAOYSA-N3-(3-Oxo-4-pyrimidin-2-yl-piperazin-1-yl)-azetidine-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 66836249
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 481
Related reactions
4 records
Compound notes
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