Pyrimidine, 1,4,5,6-tetrahydro-2-methyl-5-phenyl-, monohydrochloride

HCID 217092

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Basic information

CAS: 38115-48-9
Standard SMILES: CC1=NCC(c2ccccc2)CN1.Cl
InChIKey: ISSXKLPZZOPECA-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-2-methyl-5-phenyl-, monohydrochloride
IUPAC: 2-methyl-5-phenyl-1,4,5,6-tetrahydropyrimidine;hydrochloride

Names & synonyms

CRL 413522-Methyl-5-phenyl-1,4,5,6-tetrahydropyrimidine hydrochloride38115-48-91,4,5,6-Tetrahydro-2-methyl-5-phenylpyrimidine monohydrochloridePyrimidine, 1,4,5,6-tetrahydro-2-methyl-5-phenyl-, monohydrochlorideDTXSID20191525RefChem:377446DTXCID60114016SCHEMBL10684868ISSXKLPZZOPECA-UHFFFAOYSA-N2-Methyl-5-phenyl-1,4,5,6-tetrahydropyrimidine--hydrogen chloride (1/1)

Database identifiers

CAS: 38115-48-9
PubChem CID: 217092
DTXSID: DTXSID20191525

Properties

Computed structural properties

Topological polar surface area: 24.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 192

Related reactions

1 records

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HRID 623205As productuspto-grants-1988_09

Compound notes

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