Basic information
- Standard SMILES
CC(C)Cn1c(Cl)cc(=O)n(C)c1=O- InChIKey
NSZSICWLXFCCRN-UHFFFAOYSA-N- Molecular formula
- C9H13ClN2O2
- Average molar mass
- 216.66 g/mol
Names & identifiers
- Preferred name
- 6-Chloro-1-isobutyl-3-methylpyrimidine-2,4(1H,3H)-dione
- IUPAC
- 6-chloro-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione
Names & synonyms
6-Chloro-1-isobutyl-3-methylpyrimidine-2,4(1H,3H)-dione214636-53-06-Chloro-3-methyl-1-(2-methylpropyl)-2,4(1H,3H)-pyrimidinedioneSCHEMBL1653731NSZSICWLXFCCRN-UHFFFAOYSA-NAKOS0267177616-chloro-1-isobutyl-3-methyl-pyrimidine-2,4-dioneF2147-53096-Chloro-1-isobutyl-3-methylpyrmidine-2,4(1H,3H)-dione6Chloro-1-isobutyl-3-methylpyrimidine-2,4(1H,3H)-dione6-chloro-3-methyl-1-(2-methylpropyl)pyrimidine-2,4[1H,3H]-dione
Database identifiers
- PubChem CID
- 5282566
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 40.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 299
Related reactions
8 records
Compound notes
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