Basic information
- Standard SMILES
Cc1cccc(Cl)c1NC(=O)NC1=NCCCN1.Cc1cccc(Cl)c1NC(=O)NC1=NCCCN1.Cl.Cl.O- InChIKey
YVSUDTSASYFKNH-UHFFFAOYSA-N- Molecular formula
- C24H34Cl4N8O3
- Average molar mass
- 624.4 g/mol
Names & identifiers
- Preferred name
- N-(2-Chloro-6-Methylphenyl)-N'-(1,4,5,6-Tetrahydropyrimidin-2-yl)urea Monohydrochloride Hemihydrate
- IUPAC
- bis(1-(2-chloro-6-methylphenyl)-3-(1,4,5,6-tetrahydropyrimidin-2-yl)urea);hydrate;dihydrochloride
Names & synonyms
SCHEMBL10972621YVSUDTSASYFKNH-UHFFFAOYSA-NN-(2-Chloro-6-Methylphenyl)-N'-(1,4,5,6-Tetrahydropyrimidin-2-yl)urea Monohydrochloride Hemihydrate
Database identifiers
- PubChem CID
- 70484368
Properties
Computed structural properties
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 9
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 334
Related reactions
2 records
Compound notes
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