5-Chloro-1,3-dimethyl-4-oxo-2,6-diphenylhexahydro-5-pyrimidinecarbonitrile
Basic information
- CAS
87352-02-1- Standard SMILES
CN1C(=O)C(Cl)(C#N)C(c2ccccc2)N(C)C1c1ccccc1- InChIKey
XIJSAIBUDIFEMO-UHFFFAOYSA-N- Molecular formula
- C19H18ClN3O
- Average molar mass
- 339.8 g/mol
- Monoisotopic mass
- 339.1138399
Names & identifiers
- Preferred name
- 5-Chloro-1,3-dimethyl-4-oxo-2,6-diphenylhexahydro-5-pyrimidinecarbonitrile
- IUPAC
- 5-chloro-1,3-dimethyl-4-oxo-2,6-diphenyl-1,3-diazinane-5-carbonitrile
Names & synonyms
87352-02-15-Chloro-1,3-dimethyl-4-oxo-2,6-diphenylhexahydro-5-pyrimidinecarbonitrileNSC348889NSC 3488895-chloro-1,3-dimethyl-4-oxo-2,6-diphenyl-1,3-diazinane-5-carbonitrileDTXSID201007497NSC-3488895-chloro-1,3-dimethyl-4-oxo-2,6-diphenyl-hexahydropyrimidine-5-carbonitrile
Database identifiers
- CAS
87352-02-1- PubChem CID
- 335976
- DTXSID
DTXSID201007497
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 47.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 518
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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