Basic information
- Standard SMILES
C[C@H](CO)CN1CCN(c2cc(C3CCC3)nc(C(C)(C)C)n2)CC1- InChIKey
YIHHQBWEIDLEIQ-HNNXBMFYSA-N- Molecular formula
- C20H34N4O
- Average molar mass
- 346.5 g/mol
Names & identifiers
- Preferred name
- (s)-3-[4-(2-Tert-butyl-6-cyclobutyl-pyrimidin-4-yl)piperazin-1-yl]-2-methyl-propan-1-ol
- IUPAC
- (2S)-3-[4-(2-tert-butyl-6-cyclobutylpyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-1-ol
Names & synonyms
SCHEMBL4389044YIHHQBWEIDLEIQ-HNNXBMFYSA-N(s)-3-[4-(2-tert-butyl-6-cyclobutyl-pyrimidin-4-yl)piperazin-1-yl]-2-methyl-propan-1-ol
Database identifiers
- PubChem CID
- 69025560
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 52.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 412
Related reactions
1 records
Compound notes
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