Basic information
- Standard SMILES
CC(C)(C)c1cc2ncc(C#Cc3cncnc3)cn2n1- InChIKey
FAJJLRUMOPFOHV-UHFFFAOYSA-N- Molecular formula
- C16H15N5
- Average molar mass
- 277.32 g/mol
Names & identifiers
- Preferred name
- 2-tert-Butyl-6-pyrimidin-5-ylethynyl-pyrazolo[1,5-a]pyrimidine
- IUPAC
- 2-tert-butyl-6-(2-pyrimidin-5-ylethynyl)pyrazolo[1,5-a]pyrimidine
Names & synonyms
SCHEMBL1989270FAJJLRUMOPFOHV-UHFFFAOYSA-N2-tert-Butyl-6-pyrimidin-5-ylethynyl-pyrazolo[1,5-a]pyrimidine
Database identifiers
- PubChem CID
- 53247331
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 56 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 423
Related reactions
2 records
Compound notes
Loading…