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Basic information
- CAS
74442-98-1- Standard SMILES
CC(=O)C(=Cc1cn(C)c(=O)n(C)c1=O)C(C)=O- InChIKey
YHCFAKPDEBMDIZ-UHFFFAOYSA-N- Molecular formula
- C12H14N2O4
- Average molar mass
- 250.25 g/mol
- Monoisotopic mass
- 250.09535693
Names & identifiers
- Preferred name
- 5-(2-Acetyl-3-oxobut-1-enyl)-1,3-dimethylpyrimidine-2,4-dione
- IUPAC
- 5-(2-acetyl-3-oxobut-1-enyl)-1,3-dimethylpyrimidine-2,4-dione
Names & synonyms
NSC35388274442-98-1CHEMBL1991997DTXSID20320030NSC-353882NCI60_0031785-(2-Acetyl-3-oxobut-1-en-1-yl)-1,3-dimethylpyrimidine-2,4(1H,3H)-dione
Database identifiers
- CAS
74442-98-1- PubChem CID
- 337115
- DTXSID
DTXSID20320030- ChEMBL
CHEMBL1991997
Properties
Computed structural propertiesFilling in
- XLogP
- -0.6
- Topological polar surface area
- 74.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 486
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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