Basic information
- Standard SMILES
CCCc1cc(N2CCN(CCCCl)CC2)nc(C(C)(C)C)n1- InChIKey
WBWLENDPPFYGJG-UHFFFAOYSA-N- Molecular formula
- C18H31ClN4
- Average molar mass
- 338.9 g/mol
- Monoisotopic mass
- 338.2237247
Names & identifiers
- Preferred name
- 2-Tert-butyl-4-[4-(3-chloro-propyl)-piperazin-1-yl]-6-propyl-pyrimidine
- IUPAC
- 2-tert-butyl-4-[4-(3-chloropropyl)piperazin-1-yl]-6-propylpyrimidine
Names & synonyms
SCHEMBL388042WBWLENDPPFYGJG-UHFFFAOYSA-N2-tert-butyl-4-[4-(3-chloro-propyl)-piperazin-1-yl]-6-propyl-pyrimidine
Database identifiers
- PubChem CID
- 22349864
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 336
Related reactions
4 records
Compound notes
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