Basic information
- CAS
28224-65-9- Standard SMILES
CCCCc1cnc(N)[nH]c1=O- InChIKey
FSVYKSCXIZRISE-UHFFFAOYSA-N- Molecular formula
- C8H13N3O
- Average molar mass
- 167.21 g/mol
- Monoisotopic mass
- 167.10586205
Names & identifiers
- Preferred name
- 4(1H)-Pyrimidinone, 2-amino-5-butyl-
- IUPAC
- 2-amino-5-butyl-1H-pyrimidin-6-one
Names & synonyms
4(1H)-Pyrimidinone, 2-amino-5-butyl-28224-65-92-Amino-5-butyl-4(1H)-pyrimidinoneDTXSID001824762-Amino-5-butylpyrimidin-4(3H)-one
Database identifiers
- CAS
28224-65-9- PubChem CID
- 147276
- DTXSID
DTXSID00182476
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 67.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 243
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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