Basic information
- CAS
1850-97-1- Standard SMILES
Cc1c(O)nc(CO)[nH]c1=O- InChIKey
WSYBETKDEBLEHW-UHFFFAOYSA-N- Molecular formula
- C6H8N2O3
- Average molar mass
- 156.14 g/mol
- Monoisotopic mass
- 156.05349212
Names & identifiers
- Preferred name
- 6-Hydroxy-2-(hydroxymethyl)-5-methylpyrimidin-4(3h)-one
- IUPAC
- 4-hydroxy-2-(hydroxymethyl)-5-methyl-1H-pyrimidin-6-one
Names & synonyms
1850-97-16-hydroxy-2-(hydroxymethyl)-5-methylpyrimidin-4(3h)-oneNSC40215SCHEMBL14434348DTXSID70285009NSC-40215
Database identifiers
- CAS
1850-97-1- PubChem CID
- 237016
- DTXSID
DTXSID70285009
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 81.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 255
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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