Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCN(c2nc(N)nc(Cl)c2C=O)CC1- InChIKey
GCISUEFFEMSQFF-UHFFFAOYSA-N- Molecular formula
- C14H20ClN5O3
- Average molar mass
- 341.79 g/mol
Names & identifiers
- Preferred name
- 2-Amino-4-[4-(tert-butoxycarbonyl)piperazin-1-yl]-6-chloropyrimidine-5-carboxaldehyde
- IUPAC
- tert-butyl 4-(2-amino-6-chloro-5-formylpyrimidin-4-yl)piperazine-1-carboxylate
Names & synonyms
SCHEMBL14697627GCISUEFFEMSQFF-UHFFFAOYSA-N2-Amino-4-[4-(tert-butoxycarbonyl)piperazin-1-yl]-6-chloropyrimidine-5-carboxaldehyde
Database identifiers
- PubChem CID
- 89407451
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 437
Related reactions
1 records
Compound notes
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