Basic information
- CAS
89793-71-5- Standard SMILES
CC(C)c1nc(Cl)nc(Cl)c1Cl- InChIKey
LIMLIYISTWYZKT-UHFFFAOYSA-N- Molecular formula
- C7H7Cl3N2
- Average molar mass
- 225.5 g/mol
- Monoisotopic mass
- 223.967481
Names & identifiers
- Preferred name
- Pyrimidine, 2,4,5-trichloro-6-(1-methylethyl)-
- IUPAC
- 2,4,5-trichloro-6-propan-2-ylpyrimidine
Names & synonyms
89793-71-5Pyrimidine, 2,4,5-trichloro-6-(1-methylethyl)-NSC58575CHEMBL1993263DTXSID40289019NSC-58575Pyrimidine,4,5-trichloro-6-isopropyl-NCI60_0044292,4,5-Trichloro-6-(propan-2-yl)pyrimidine
Database identifiers
- CAS
89793-71-5- PubChem CID
- 246017
- DTXSID
DTXSID40289019- ChEMBL
CHEMBL1993263
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 154
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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