Basic information
- Standard SMILES
C#Cc1c(CC)ncnc1NC1CCC(c2ccccc2)CC1- InChIKey
PKJKSMJODORWQD-UHFFFAOYSA-N- Molecular formula
- C20H23N3
- Average molar mass
- 305.4 g/mol
Names & identifiers
- Preferred name
- 5-Ethynyl-6-ethyl-4-(cis-4-phenylcyclohexylamino)pyrimidine
- IUPAC
- 6-ethyl-5-ethynyl-N-(4-phenylcyclohexyl)pyrimidin-4-amine
Names & synonyms
SCHEMBL8598069SCHEMBL8694359PKJKSMJODORWQD-CALCHBBNSA-N5-Ethynyl-6-ethyl-4-(cis-4-phenylcyclohexylamino)pyrimidine
Database identifiers
- PubChem CID
- 22097397
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 37.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 398
Related reactions
1 records
Compound notes
Loading…