Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCN(c2ccnc(NCc3cccc(Cl)c3)n2)CC1- InChIKey
DZMUPAJHGASYGF-UHFFFAOYSA-N- Molecular formula
- C20H26ClN5O2
- Average molar mass
- 403.9 g/mol
- Monoisotopic mass
- 403.1775028
Names & identifiers
- Preferred name
- 4-[2-(3-Chloro-benzylamino)-pyrimidin-4-yl]-piperazine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 4-[2-[(3-chlorophenyl)methylamino]pyrimidin-4-yl]piperazine-1-carboxylate
Names & synonyms
SCHEMBL5883101DZMUPAJHGASYGF-UHFFFAOYSA-N4-[2-(3-Chloro-benzylamino)-pyrimidin-4-yl]-piperazine-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 69596118
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 70.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 507
Related reactions
5 records
Compound notes
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