N-methyl-6-(piperidin-4-ylmethyl)pyrimidin-4-amine dihydrochloride

• ChemBase ID: 62882
• Molecular Formular: C11H20Cl2N4
• Molecular Mass: 279.2093
• Monoisotopic Mass: 278.10650202
• SMILES: n1c(cc(nc1)CC1CCNCC1)NC.Cl.Cl
• Canonical SMILES: CNc1ncnc(c1)CC1CCNCC1.Cl.Cl
• InChI: InChI=1S/C11H18N4.2ClH/c1-12-11-7-10(14-8-15-11)6-9-2-4-13-5-3-9;;/h7-9,13H,2-6H2,1H3,(H,12,14,15);2*1H
• InChIKey: ASGBTPKSMPOZNT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-6-(piperidin-4-ylmethyl)pyrimidin-4-amine dihydrochloride
• IUPAC Traditional name: N-methyl-6-(piperidin-4-ylmethyl)pyrimidin-4-amine dihydrochloride
• Synonyms: Methyl-(6-piperidin-4-ylmethyl-pyrimidin-4-yl)-amine dihydrochloride

Database IDs

• MDL Number: MFCD21606145
• PubChem SID: 162028621
• PubChem CID: 71298878

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.1973417
• LogD (pH = 7.4): -2.2462974
• Log P: 0.54052067
• Molar Refractivity: 62.8278 cm^3
• Polarizability: 23.282495 Å^3
• Polar Surface Area: 49.84 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false