2-(4-Chlorophenyl)-1,3-dimethylhexahydropyrimidine
Basic information
- CAS
57648-68-7- Standard SMILES
CN1CCCN(C)C1c1ccc(Cl)cc1- InChIKey
ZZEKZXOWTVMJRK-UHFFFAOYSA-N- Molecular formula
- C12H17ClN2
- Average molar mass
- 224.73 g/mol
- Monoisotopic mass
- 224.1080262
Names & identifiers
- Preferred name
- 2-(4-Chlorophenyl)-1,3-dimethylhexahydropyrimidine
- IUPAC
- 2-(4-chlorophenyl)-1,3-dimethyl-1,3-diazinane
Names & synonyms
57648-68-72-(4-chlorophenyl)-1,3-dimethylhexahydropyrimidine2-(4-chlorophenyl)-1,3-dimethyl-1,3-diazinaneNSC150089DTXSID70302301NSC-150089
Database identifiers
- CAS
57648-68-7- PubChem CID
- 288755
- DTXSID
DTXSID70302301
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 6.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 192
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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