Pyrimidine, 1,4,5,6-tetrahydro-1-methyl-5-phenyl-, monohydrochloride
Basic information
- CAS
114703-72-9- Standard SMILES
CN1C=NCC(c2ccccc2)C1.Cl- InChIKey
VIXTVRMXGDUSLG-UHFFFAOYSA-N- Molecular formula
- C11H15ClN2
- Average molar mass
- 210.7 g/mol
- Monoisotopic mass
- 210.0923762
Names & identifiers
- Preferred name
- Pyrimidine, 1,4,5,6-tetrahydro-1-methyl-5-phenyl-, monohydrochloride
- IUPAC
- 1-methyl-5-phenyl-5,6-dihydro-4H-pyrimidine;hydrochloride
Names & synonyms
114703-72-9Pyrimidine, 1,4,5,6-tetrahydro-1-methyl-5-phenyl-, monohydrochlorideRefChem:1097507CRL 413371-Methyl-5-phenyl-1,4,5,6-tetrahydropyrimidine hydrochloride1,4,5,6-Tetrahydro-1-methyl-5-phenylpyrimidine monohydrochlorideSCHEMBL10674686DTXSID509214731-Methyl-5-phenyl-1,4,5,6-tetrahydropyrimidine--hydrogen chloride (1/1)
Database identifiers
- CAS
114703-72-9- PubChem CID
- 3087477
- DTXSID
DTXSID50921473
Properties
Computed structural properties
- Topological polar surface area
- 15.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 183
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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