Basic information
- Standard SMILES
CC(C)(C)c1nc(C=Cc2cccnc2)nc(C(C)(C)C)c1O- InChIKey
ZUGWIJIJJDYGJR-UHFFFAOYSA-N- Molecular formula
- C19H25N3O
- Average molar mass
- 311.4 g/mol
Names & identifiers
- Preferred name
- 4,6-Bis(1,1-dimethylethyl)-2-[[2-(3-pyridinyl)]ethenyl]-5-pyrimidinol
- IUPAC
- 4,6-ditert-butyl-2-(2-pyridin-3-ylethenyl)pyrimidin-5-ol
Names & synonyms
SCHEMBL9301520ZUGWIJIJJDYGJR-UHFFFAOYSA-N4,6-bis(1,1-dimethylethyl)-2-[[2-(3 pyridinyl)]ethenyl]-5-pyrimidinol4,6-bis(1,1-dimethylethyl)-2-[[2-(3-pyridinyl)]ethenyl]-5-pyrimidinol
Database identifiers
- PubChem CID
- 54566632
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 58.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 384
Related reactions
3 records
Compound notes
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