Basic information
- Standard SMILES
Nc1nc(Cl)cc(C2CCCN(C(=O)OCc3ccccc3)C2)n1- InChIKey
YSZNXQZUEJNPBS-UHFFFAOYSA-N- Molecular formula
- C17H19ClN4O2
- Average molar mass
- 346.8 g/mol
Names & identifiers
- Preferred name
- Benzyl 3-(2-amino-6-chloropyrimidin-4-yl)piperidine-1-carboxylate
- IUPAC
- benzyl 3-(2-amino-6-chloropyrimidin-4-yl)piperidine-1-carboxylate
Names & synonyms
SCHEMBL2881051YSZNXQZUEJNPBS-UHFFFAOYSA-Nbenzyl 3-(2-amino-6-chloropyrimidin-4-yl)piperidine-1-carboxylate
Database identifiers
- PubChem CID
- 58733388
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 81.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 419
Related reactions
4 records
Compound notes
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