Basic information
- CAS
28289-95-4- Standard SMILES
CCCCn1c(=O)cc[nH]c1=O- InChIKey
RCRMCLIRQDBAGO-UHFFFAOYSA-N- Molecular formula
- C8H12N2O2
- Average molar mass
- 168.19 g/mol
- Monoisotopic mass
- 168.08987763
Names & identifiers
- Preferred name
- 3-Butyluracil
- IUPAC
- 3-butyl-1H-pyrimidine-2,4-dione
Names & synonyms
3-ButyluracilUracil, 3-butyl-2,4(1H,3H)-Pyrimidinedione, 3-butyl-Z218AD1QG4NSC 150510NSC-150510UNII-Z218AD1QG4DTXSID001825373-BUTYL-2,4(1H,3H)-PYRIMIDINEDIONERefChem:93307DTXCID401050282,4(1H,3H)-Pyrimidinedione, 3-butyl-(9CI)
Show more names
28289-95-4NSC1505103-butyl-1H-pyrimidine-2,4-dione3-butyl uracil2,4(1H,3H)-Pyrimidinedione, 3-butyl- (9CI)SCHEMBL68646082,3H)-Pyrimidinedione, 3-butyl-3-Butylpyrimidine-2,4(1H,3H)-dione
Database identifiers
- CAS
28289-95-4- PubChem CID
- 73265
- DTXSID
DTXSID00182537- UNII
- Z218AD1QG4
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 49.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 223
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…