1-But-3-enyl-5-methylpyrimidine-2,4-dione
Basic information
- CAS
7236-72-8- Standard SMILES
C=CCCn1cc(C)c(=O)[nH]c1=O- InChIKey
MSJWDVBVKLQCMG-UHFFFAOYSA-N- Molecular formula
- C9H12N2O2
- Average molar mass
- 180.2 g/mol
- Monoisotopic mass
- 180.08987763
Names & identifiers
- Preferred name
- 1-But-3-enyl-5-methylpyrimidine-2,4-dione
- IUPAC
- 1-but-3-enyl-5-methylpyrimidine-2,4-dione
Names & synonyms
7236-72-8NSC211103DTXSID40993149AKOS014050360NSC-2111031-(But-3-en-1-yl)-4-hydroxy-5-methylpyrimidin-2(1H)-one
Database identifiers
- CAS
7236-72-8- PubChem CID
- 308969
- DTXSID
DTXSID40993149
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 49.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 281
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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