Basic information
- Standard SMILES
CCCNc1nc(Cl)ncc1C#CCCCN- InChIKey
LUAPZKOFKUHFHL-UHFFFAOYSA-N- Molecular formula
- C12H17ClN4
- Average molar mass
- 252.74 g/mol
Names & identifiers
- Preferred name
- 5-(5-amino-1-pentyn-1-yl)-2-chloro-N-propylpyrimidin-4-amine
- IUPAC
- 5-(5-aminopent-1-ynyl)-2-chloro-N-propylpyrimidin-4-amine
Names & synonyms
SCHEMBL15584556LUAPZKOFKUHFHL-UHFFFAOYSA-N5-(5-amino-1-pentyn-1-yl)-2-chloro-N-propylpyrimidin-4-amine
Database identifiers
- PubChem CID
- 90052154
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 63.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 270
Related reactions
3 records
Compound notes
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