Basic information
- CAS
5442-52-4- Standard SMILES
CCCCc1c[nH]c(=O)[nH]c1=O- InChIKey
CFGDUDUEDQSSKF-UHFFFAOYSA-N- Molecular formula
- C8H12N2O2
- Average molar mass
- 168.19 g/mol
- Monoisotopic mass
- 168.08987763
Names & identifiers
- Preferred name
- 2,4(1H,3H)-Pyrimidinedione, 5-butyl-
- IUPAC
- 5-butyl-1H-pyrimidine-2,4-dione
Names & synonyms
5-Butyluracil2,4(1H,3H)-Pyrimidinedione, 5-butyl-NSC 12215DTXSID60202821RefChem:245355DTXCID901253122,4(1H,3H)-Pyrimidinedione, 5-butyl-(9CI)CFGDUDUEDQSSKF-UHFFFAOYSA-N5-n-ButyluracilUracil, 5-butyl-5442-52-45-butylpyrimidine-2,4(1H,3H)-dione
Show more names
2,4(1H,3H)-Pyrimidinedione, 5-butyl- (9CI)SCHEMBL3564832,3H)-Pyrimidinedione, 5-butyl-NSC12215NSC-122155-Butyl-2,4(1H,3H)-pyrimidinedione #DS-015501
Database identifiers
- CAS
5442-52-4- PubChem CID
- 94985
- DTXSID
DTXSID60202821- Nikkaji
- J623.485B
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 233
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…