2,3-Dimethyl-4(3H)-pyrimidinone
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Basic information
- CAS
17758-38-2- Standard SMILES
Cc1nccc(=O)n1C- InChIKey
AHQSDTAPZOQQBJ-UHFFFAOYSA-N- Molecular formula
- C6H8N2O
- Average molar mass
- 124.14 g/mol
- Monoisotopic mass
- 124.06366288
Names & identifiers
- Preferred name
- 2,3-Dimethyl-4(3H)-pyrimidinone
- IUPAC
- 2,3-dimethylpyrimidin-4-one
- English name
- 2,3-Dimethylpyrimidin-4(3H)-one
- Molecular weight
- 0
Names & synonyms
2,3-Dimethylpyrimidin-4(3H)-one17758-38-22,3-dimethyl-3h-pyrimidin-4-one2,3-dimethylpyrimidin-4-one2,3-Dimethyl-4(3H)-pyrimidinone4(3H)-Pyrimidinone, 2,3-dimethyl-SCHEMBL762480DTXSID90337832AHQSDTAPZOQQBJ-UHFFFAOYSA-N2,3-Dimethyl-4(3H)-pyrimidinone #
Database identifiers
- CAS
17758-38-2- PubChem CID
- 544933
- DTXSID
DTXSID90337832- Nikkaji
- J141.819J
Properties
Computed structural propertiesFilling in
- XLogP
- -0.5
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 193
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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