2-(4,6-dimethylpyrimidin-2-yl)ethan-1-amine dihydrochloride

• ChemBase ID: 272714
• Molecular Formular: C8H15Cl2N3
• Molecular Mass: 224.1308
• Monoisotopic Mass: 223.06430286
• SMILES: c1(nc(cc(n1)C)C)CCN.Cl.Cl
• Canonical SMILES: NCCc1nc(C)cc(n1)C.Cl.Cl
• InChI: InChI=1S/C8H13N3.2ClH/c1-6-5-7(2)11-8(10-6)3-4-9;;/h5H,3-4,9H2,1-2H3;2*1H
• InChIKey: OJRWCSICABUHDF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4,6-dimethylpyrimidin-2-yl)ethan-1-amine dihydrochloride
• IUPAC Traditional name: 2-(4,6-dimethylpyrimidin-2-yl)ethanamine dihydrochloride
• Synonyms: 2-(4,6-dimethylpyrimidin-2-yl)ethan-1-amine dihydrochloride

Database IDs

• MDL Number: MFCD09864230
• PubChem SID: 164328624
• PubChem CID: 50988316

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.8978293
• LogD (pH = 7.4): -1.7587979
• Log P: 0.23746565
• Molar Refractivity: 44.5888 cm^3
• Polarizability: 17.196537 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.023

Product Information

• Purity: 95%