Basic information
- Standard SMILES
Cl.O.O=C(NC1=NCCCN1)Nc1ccccc1C(F)(F)F- InChIKey
OWTDPXORVURAHB-UHFFFAOYSA-N- Molecular formula
- C12H16ClF3N4O2
- Average molar mass
- 340.73 g/mol
Names & identifiers
- Preferred name
- N-(1,4,5,6-tetrahydropyrimidin-2-yl)-N'-(2-trifluoromethylphenyl)urea monohydrochloride hydrate
- IUPAC
- 1-(1,4,5,6-tetrahydropyrimidin-2-yl)-3-[2-(trifluoromethyl)phenyl]urea;hydrate;hydrochloride
Names & synonyms
SCHEMBL11089210N-(1,4,5,6 -tetrahydropyrimidin-2-yl)-N'-(2-trifluoromethylphenyl)urea monohydrochloride hydrateN-(1,4,5,6-tetrahydropyrimidin- 2-yl)-N'-(2-trifluoromethylphenyl)urea monohydrochloride hydrateN-(1,4,5,6-tetrahydropyrimidin-2-yl)-N'-(2-trifluoromethylphenyl)urea monohydrochloride hydrate
Database identifiers
- PubChem CID
- 12790789
Properties
Computed structural properties
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 383
Related reactions
2 records
Compound notes
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