Basic information
- CAS
21325-46-2- Standard SMILES
O=c1[nH]cc(CCc2ccccc2)c(=O)[nH]1- InChIKey
JIXBEKSHVUECRD-UHFFFAOYSA-N- Molecular formula
- C12H12N2O2
- Average molar mass
- 216.24 g/mol
- Monoisotopic mass
- 216.08987763
Names & identifiers
- Preferred name
- 5-(2-Phenylethyl)pyrimidine-2,4(1h,3h)-dione
- IUPAC
- 5-(2-phenylethyl)-1H-pyrimidine-2,4-dione
Names & synonyms
MLS00310629721325-46-25-(2-phenylethyl)pyrimidine-2,4(1h,3h)-dioneNSC149817CHEMBL2139649DTXSID50302243NSC-149817SMR001821206
Database identifiers
- CAS
21325-46-2- PubChem CID
- 288562
- DTXSID
DTXSID50302243- ChEMBL
CHEMBL2139649- Nikkaji
- J2.289.671G
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 317
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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