1,3-Dimethyl-2-phenylhexahydropyrimidine
Basic information
- CAS
57648-64-3- Standard SMILES
CN1CCCN(C)C1c1ccccc1- InChIKey
WFRXDHZBBJDRIU-UHFFFAOYSA-N- Molecular formula
- C12H18N2
- Average molar mass
- 190.28 g/mol
- Monoisotopic mass
- 190.14699858
Names & identifiers
- Preferred name
- 1,3-Dimethyl-2-phenylhexahydropyrimidine
- IUPAC
- 1,3-dimethyl-2-phenyl-1,3-diazinane
Names & synonyms
1,3-dimethyl-2-phenylhexahydropyrimidine57648-64-31,3-dimethyl-2-phenyl-1,3-diazinaneNSC150090DTXSID30302302NSC-150090
Database identifiers
- CAS
57648-64-3- PubChem CID
- 288756
- DTXSID
DTXSID30302302
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 6.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 165
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Compound notes
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