Basic information
- CAS
114153-80-9- Standard SMILES
Nc1c(Cl)ncnc1NCCCCCO- InChIKey
FVSTUIFFPGEDSV-UHFFFAOYSA-N- Molecular formula
- C9H15ClN4O
- Average molar mass
- 230.69 g/mol
- Monoisotopic mass
- 230.0934388
Names & identifiers
- Preferred name
- 5-[(5-Amino-6-chloropyrimidin-4-yl)amino]pentan-1-ol
- IUPAC
- 5-[(5-amino-6-chloropyrimidin-4-yl)amino]pentan-1-ol
Names & synonyms
114153-80-95-[(5-amino-6-chloropyrimidin-4-yl)amino]pentan-1-olNSC159711DTXSID90303658NSC-159711
Database identifiers
- CAS
114153-80-9- PubChem CID
- 293303
- DTXSID
DTXSID90303658
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 84.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 172
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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