Tert-butyl 3-(pyrimidin-2-yl)azetidine-1-carboxylate
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Basic information
- CAS
1236861-59-8- Standard SMILES
CC(C)(C)OC(=O)N1CC(c2ncccn2)C1- InChIKey
IPHKADORQLZWSI-UHFFFAOYSA-N- Molecular formula
- C12H17N3O2
- Average molar mass
- 235.28 g/mol
- Monoisotopic mass
- 235.13207679
Names & identifiers
- Preferred name
- Tert-butyl 3-(pyrimidin-2-yl)azetidine-1-carboxylate
- IUPAC
- tert-butyl 3-pyrimidin-2-ylazetidine-1-carboxylate
- English name
- tert-butyl 3-(pyriMidin-2-yl)azetidine-1-carboxylate
- Molecular formula
- C12H17N3O2
- Molecular weight
- 235.28
Names & synonyms
tert-butyl 3-(pyrimidin-2-yl)azetidine-1-carboxylate1236861-59-8tert-butyl 3-pyrimidin-2-ylazetidine-1-carboxylateSCHEMBL2992043IPHKADORQLZWSI-UHFFFAOYSA-NMFCD20528851AKOS025396569SB52144DB-299117EN300-336928tert-butyl3-(pyrimidin-2-yl)azetidine-1-carboxylate1-Azetidinecarboxylic acid, 3-(2-pyrimidinyl)-, 1,1-dimethylethyl ester
Database identifiers
- CAS
1236861-59-8- PubChem CID
- 59418286
Properties
Computed structural propertiesFilling in
- XLogP
- 1
- Topological polar surface area
- 55.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 276
Physicochemical properties
- Boiling point
- 334 · 334.0±35.0 °C(Predicted)
- Density
- 1.177 · 1.177±0.06 g/cm3(Predicted)
- pka
- 1.56 · 1.56±0.33(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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