4,6-dimethyl-2-(piperazin-1-yl)pyrimidine dihydrochloride

• ChemBase ID: 239718
• Molecular Formular: C10H18Cl2N4
• Molecular Mass: 265.18272
• Monoisotopic Mass: 264.09085196
• SMILES: c1(nc(cc(n1)C)C)N1CCNCC1.Cl.Cl
• Canonical SMILES: Cc1nc(nc(c1)C)N1CCNCC1.Cl.Cl
• InChI: InChI=1S/C10H16N4.2ClH/c1-8-7-9(2)13-10(12-8)14-5-3-11-4-6-14;;/h7,11H,3-6H2,1-2H3;2*1H
• InChIKey: INLOKKXMRCDUHY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,6-dimethyl-2-(piperazin-1-yl)pyrimidine dihydrochloride
• IUPAC Traditional name: 4,6-dimethyl-2-(piperazin-1-yl)pyrimidine dihydrochloride
• Synonyms: 4,6-dimethyl-2-(piperazin-1-yl)pyrimidine dihydrochloride

Database IDs

• MDL Number: MFCD22378768
• PubChem SID: 164295628
• PubChem CID: 19969739

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.3588967
• LogD (pH = 7.4): -0.7536085
• Log P: 0.5633773
• Molar Refractivity: 57.0353 cm^3
• Polarizability: 21.367144 Å^3
• Polar Surface Area: 41.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.869

Product Information

• Purity: 95%