Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCN(c2ncc(Br)cn2)[C@H](CO)C1- InChIKey
WFLBNWUNARDVBL-NSHDSACASA-N- Molecular formula
- C14H21BrN4O3
- Average molar mass
- 373.25 g/mol
- Monoisotopic mass
- 372.0797
Names & identifiers
- Preferred name
- (S)-tert-butyl 4-(5-bromopyrimidin-2-yl)-3-(hydroxymethyl)piperazine-1-carboxylate
- IUPAC
- tert-butyl (3S)-4-(5-bromopyrimidin-2-yl)-3-(hydroxymethyl)piperazine-1-carboxylate
Names & synonyms
SCHEMBL16652727WFLBNWUNARDVBL-NSHDSACASA-N(S)-tert-butyl 4-(5-bromopyrimidin-2-yl)-3-(hydroxymethyl)piperazine-1-carboxylate
Database identifiers
- PubChem CID
- 118023398
Properties
Computed structural propertiesFilling in
- XLogP
- 1.4
- Topological polar surface area
- 78.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 383
Related reactions
1 records
Compound notes
Loading…