3-(3-chloropropyl)-1-benzyl-5,6-dimethyl-2,4(1H,3H)-pyrimidinedione
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Basic information
- Standard SMILES
Cc1c(C)n(Cc2ccccc2)c(=O)n(CCCCl)c1=O- InChIKey
KBEFBVYJCOKRBE-UHFFFAOYSA-N- Molecular formula
- C16H19ClN2O2
- Average molar mass
- 306.79 g/mol
- Monoisotopic mass
- 306.1135055
Names & identifiers
- Preferred name
- 3-(3-chloropropyl)-1-benzyl-5,6-dimethyl-2,4(1H,3H)-pyrimidinedione
- IUPAC
- 1-benzyl-3-(3-chloropropyl)-5,6-dimethylpyrimidine-2,4-dione
Names & synonyms
SCHEMBL7830852KBEFBVYJCOKRBE-UHFFFAOYSA-N3-(3-chloropropyl)-1-benzyl-5,6-dimethyl-2,4(1H,3H)-pyrimidinedione
Database identifiers
- PubChem CID
- 53985437
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 40.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 442
Related reactions
2 records
Compound notes
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