1-(3-Phenylpropyl)-6-propylpyrimidine-2,4-dione
Basic information
- CAS
13345-03-4- Standard SMILES
CCCc1cc(=O)[nH]c(=O)n1CCCc1ccccc1- InChIKey
IWDCZNSTOFWCBU-UHFFFAOYSA-N- Molecular formula
- C16H20N2O2
- Average molar mass
- 272.34 g/mol
- Monoisotopic mass
- 272.15247789
Names & identifiers
- Preferred name
- 1-(3-Phenylpropyl)-6-propylpyrimidine-2,4-dione
- IUPAC
- 1-(3-phenylpropyl)-6-propylpyrimidine-2,4-dione
Names & synonyms
NSC21087313345-03-4DTXSID90309034NSC-2108731-(3-Phenylpropyl)-6-propylpyrimidine-2,4(1H,3H)-dione
Database identifiers
- CAS
13345-03-4- PubChem CID
- 308799
- DTXSID
DTXSID90309034
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 49.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 384
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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