5-(piperazin-1-yl)pyrimidine hydrochloride

• ChemBase ID: 294533
• Molecular Formular: C8H13ClN4
• Molecular Mass: 200.66862
• Monoisotopic Mass: 200.08287412
• SMILES: Cl.c1(N2CCNCC2)cncnc1
• Canonical SMILES: N1CCN(CC1)c1cncnc1.Cl
• InChI: InChI=1S/C8H12N4.ClH/c1-3-12(4-2-9-1)8-5-10-7-11-6-8;/h5-7,9H,1-4H2;1H
• InChIKey: YBETUEKOSIAOLN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(piperazin-1-yl)pyrimidine hydrochloride
• IUPAC Traditional name: 5-(piperazin-1-yl)pyrimidine hydrochloride
• Synonyms: 5-(Piperazin-1-yl)pyrimidine hydrochloride

Database IDs

• CAS Number: 634468-92-1
• PubChem SID: 180680064
• PubChem CID: 69201469

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.337501
• LogD (pH = 7.4): -1.7688539
• Log P: -0.37814903
• Molar Refractivity: 47.9063 cm^3
• Polarizability: 17.841887 Å^3
• Polar Surface Area: 41.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%