1-(1-Adamantyl)-5-methylpyrimidine-2,4-dione
Basic information
- CAS
76849-32-6- Standard SMILES
Cc1cn(C23CC4CC(CC(C4)C2)C3)c(=O)[nH]c1=O- InChIKey
RVCJPYOFOLUABM-UHFFFAOYSA-N- Molecular formula
- C15H20N2O2
- Average molar mass
- 260.33 g/mol
- Monoisotopic mass
- 260.15247789
Names & identifiers
- Preferred name
- 1-(1-Adamantyl)-5-methylpyrimidine-2,4-dione
- IUPAC
- 1-(1-adamantyl)-5-methylpyrimidine-2,4-dione
Names & synonyms
NSC36607076849-32-6DTXSID10320887NSC-366070DS-0079151-(1-adamantyl)-5-methyl-pyrimidine-2,4-dione1-(Adamantan-1-yl)-5-methylpyrimidine-2,4(1H,3H)-dione
Database identifiers
- CAS
76849-32-6- PubChem CID
- 339408
- DTXSID
DTXSID10320887
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 49.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 453
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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