4-Methyl-5-(3,4-methylenedioxy)-phenylpyrimidine
Basic information
- Standard SMILES
Cc1ncncc1-c1ccc2c(c1)OCO2- InChIKey
XYYMQUHSVBGSSO-UHFFFAOYSA-N- Molecular formula
- C12H10N2O2
- Average molar mass
- 214.22 g/mol
- Monoisotopic mass
- 214.07422757
Names & identifiers
- Preferred name
- 4-Methyl-5-(3,4-methylenedioxy)-phenylpyrimidine
- IUPAC
- 5-(1,3-benzodioxol-5-yl)-4-methylpyrimidine
Names & synonyms
XYYMQUHSVBGSSO-UHFFFAOYSA-NDTXSID9013440385-(1,3-Benzodioxol-5-yl)-4-methylpyrimidine4-methyl-5-(3,4-methylenedioxy)-phenylpyrimidine
Database identifiers
- PubChem CID
- 14940342
- DTXSID
DTXSID901344038
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 44.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 249
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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