Basic information
- CAS
27228-60-0- Standard SMILES
Cc1nc2c(c(=O)[nH]1)C(c1ccccc1)C(C)(C)O2- InChIKey
HHBFGXUPSNUWIS-UHFFFAOYSA-N- Molecular formula
- C15H16N2O2
- Average molar mass
- 256.3 g/mol
- Monoisotopic mass
- 256.12117776
Names & identifiers
- Preferred name
- 2,6,6-Trimethyl-5-phenyl-5,6-dihydrofuro[2,3-d]pyrimidin-4(3h)-one
- IUPAC
- 2,6,6-trimethyl-5-phenyl-3,5-dihydrofuro[2,3-d]pyrimidin-4-one
Names & synonyms
27228-60-02,6,6-trimethyl-5-phenyl-5,6-dihydrofuro[2,3-d]pyrimidin-4(3h)-oneNSC142466DTXSID60301328Furo[2,3-d]pyrimidin-4(3H)-one,5,6-dihydro-2,6,6-trimethyl-5-phenyl-NSC-142466DS-001466
Database identifiers
- CAS
27228-60-0- PubChem CID
- 285486
- DTXSID
DTXSID60301328
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 50.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 471
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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