2,4(1H,3H)-Pyrimidinedione, 1-(((1-(hydroxymethyl)-2-propenyl)oxy)methyl)-5-methyl-
Basic information
- CAS
136083-22-2- Standard SMILES
C=CC(CO)OCn1cc(C)c(=O)[nH]c1=O- InChIKey
NDNYWNVDBZCJOD-UHFFFAOYSA-N- Molecular formula
- C10H14N2O4
- Average molar mass
- 226.23 g/mol
- Monoisotopic mass
- 226.09535693
Names & identifiers
- Preferred name
- 2,4(1H,3H)-Pyrimidinedione, 1-(((1-(hydroxymethyl)-2-propenyl)oxy)methyl)-5-methyl-
- IUPAC
- 1-(1-hydroxybut-3-en-2-yloxymethyl)-5-methylpyrimidine-2,4-dione
Names & synonyms
1-(Methoxy-(4-hydroxybuten-3-yl)-thymine136083-22-22,4(1H,3H)-Pyrimidinedione, 1-(((1-(hydroxymethyl)-2-propenyl)oxy)methyl)-5-methyl-2,4(1H,3H)-Pyrimidinedione, 1-[[[1-(hydroxymethyl)-2-propenyl]oxy]methyl]-5-methyl-SCHEMBL10475717DTXSID709292591-[1-(hydroxymethyl)allyloxymethyl]-5-methyl-pyrimidine-2,4-dione4-Hydroxy-1-{[(1-hydroxybut-3-en-2-yl)oxy]methyl}-5-methylpyrimidin-2(1H)-one
Database identifiers
- CAS
136083-22-2- PubChem CID
- 452999
- DTXSID
DTXSID70929259
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 338
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Compound notes
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