Basic information
- Standard SMILES
Cc1cn(Cc2ccccc2)c(=O)n(CC2(C#N)CC2)c1=O- InChIKey
TYCJVNOKNCFQIS-UHFFFAOYSA-N- Molecular formula
- C17H17N3O2
- Average molar mass
- 295.34 g/mol
Names & identifiers
- Preferred name
- 1-benzyl-3-(1-cyanocycloprop-1-ylmethyl)-5-methyl-2,4(1H,3H)-pyrimidinedione
- IUPAC
- 1-[(3-benzyl-5-methyl-2,6-dioxopyrimidin-1-yl)methyl]cyclopropane-1-carbonitrile
Names & synonyms
SCHEMBL7831993TYCJVNOKNCFQIS-UHFFFAOYSA-N1-benzyl-3-(1-cyanocycloprop-1-ylmethyl)-5-methyl-2,4(1H,3H)-pyrimidinedione
Database identifiers
- PubChem CID
- 70201498
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 562
Related reactions
2 records
Compound notes
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