6-(3-phenylpropyl)-1H-pyrimidine-2,4-dione
Basic information
- CAS
13345-13-6- Standard SMILES
O=c1cc(CCCc2ccccc2)[nH]c(=O)[nH]1- InChIKey
FILRAZPOHIQTKL-UHFFFAOYSA-N- Molecular formula
- C13H14N2O2
- Average molar mass
- 230.26 g/mol
- Monoisotopic mass
- 230.10552769
Names & identifiers
- Preferred name
- 6-(3-phenylpropyl)-1H-pyrimidine-2,4-dione
- IUPAC
- 6-(3-phenylpropyl)-1H-pyrimidine-2,4-dione
Names & synonyms
13345-13-66-(3-phenylpropyl)-1H-pyrimidine-2,4-dione6-(3-phenylpropyl)pyrimidine-2,4(1H,3H)-dioneNSC211285starbld0010334DTXSID50309176AKOS026714421NSC-211285F1967-3645
Database identifiers
- CAS
13345-13-6- PubChem CID
- 309115
- DTXSID
DTXSID50309176
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 330
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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