6-(1,3-Benzodioxol-5-yl)-1,3-dimethylpteridine-2,4-dione
Basic information
- CAS
61999-41-5- Standard SMILES
Cn1c(=O)c2nc(-c3ccc4c(c3)OCO4)cnc2n(C)c1=O- InChIKey
FWLVPCHOEFHUJK-UHFFFAOYSA-N- Molecular formula
- C15H12N4O4
- Average molar mass
- 312.28 g/mol
- Monoisotopic mass
- 312.08585488
Names & identifiers
- Preferred name
- 6-(1,3-Benzodioxol-5-yl)-1,3-dimethylpteridine-2,4-dione
- IUPAC
- 6-(1,3-benzodioxol-5-yl)-1,3-dimethylpteridine-2,4-dione
Names & synonyms
NSC28178361999-41-5DTXSID00314275NSC-281783DS-0058586-Benzo[1,3]dioxol-5-yl-1,3-dimethyl-pteridine-2,4-dione6-(2H-1,3-Benzodioxol-5-yl)-1,3-dimethylpteridine-2,4(1H,3H)-dione
Database identifiers
- CAS
61999-41-5- PubChem CID
- 323056
- DTXSID
DTXSID00314275
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 84.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 516
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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