Basic information
- Standard SMILES
CCCCc1ncnc(Cl)c1N- InChIKey
SHFCJDPKZWEBNO-UHFFFAOYSA-N- Molecular formula
- C8H12ClN3
- Average molar mass
- 185.65 g/mol
- Monoisotopic mass
- 185.0719751
Names & identifiers
- Preferred name
- 6-Chloro-5-amino-4-butyl pyrimidine
- IUPAC
- 4-butyl-6-chloropyrimidin-5-amine
Names & synonyms
SCHEMBL1966180SHFCJDPKZWEBNO-UHFFFAOYSA-N6-chloro-5-amino-4-butyl pyrimidine
Database identifiers
- PubChem CID
- 85827652
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 131
Related reactions
3 records
Compound notes
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