Methyl 5-(2,4-dioxopyrimidin-1-yl)pentanoate
Basic information
- CAS
4418-25-1- Standard SMILES
COC(=O)CCCCn1ccc(=O)[nH]c1=O- InChIKey
GCSVOCCUABZMOQ-UHFFFAOYSA-N- Molecular formula
- C10H14N2O4
- Average molar mass
- 226.23 g/mol
- Monoisotopic mass
- 226.09535693
Names & identifiers
- Preferred name
- Methyl 5-(2,4-dioxopyrimidin-1-yl)pentanoate
- IUPAC
- methyl 5-(2,4-dioxopyrimidin-1-yl)pentanoate
Names & synonyms
4418-25-1methyl 5-(2,4-dioxopyrimidin-1-yl)pentanoateNSC210583SCHEMBL19370633DTXSID60308998NSC-210583Methyl 5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)pentanoate
Database identifiers
- CAS
4418-25-1- PubChem CID
- 308706
- DTXSID
DTXSID60308998
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 75.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 325
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Compound notes
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