Basic information
- Standard SMILES
CCCCCCCCc1cnc(-c2ccc(OCCCCC[C@@H](C)CC)cc2)nc1- InChIKey
ACVCHIRHUXRITH-QHCPKHFHSA-N- Molecular formula
- C27H42N2O
- Average molar mass
- 410.6 g/mol
Names & identifiers
- Preferred name
- (s)-5-n-Octyl-2-[4-(6-methyloctyloxy)phenyl]-pyrimidine
- IUPAC
- 2-[4-[(6S)-6-methyloctoxy]phenyl]-5-octylpyrimidine
Names & synonyms
SCHEMBL10346201ACVCHIRHUXRITH-QHCPKHFHSA-N(s)-5-n-octyl-2-[4-(6-methyloctyloxy)phenyl]-pyrimidine
Database identifiers
- PubChem CID
- 18611652
Properties
Computed structural properties
- XLogP
- 9.6
- Topological polar surface area
- 35 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 16
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 386
Related reactions
1 records
Compound notes
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