N,6-dimethyl-2-(piperidin-4-yl)pyrimidin-4-amine dihydrochloride

• ChemBase ID: 62985
• Molecular Formular: C11H20Cl2N4
• Molecular Mass: 279.2093
• Monoisotopic Mass: 278.10650202
• SMILES: n1c(nc(cc1NC)C)C1CCNCC1.Cl.Cl
• Canonical SMILES: CNc1cc(C)nc(n1)C1CCNCC1.Cl.Cl
• InChI: InChI=1S/C11H18N4.2ClH/c1-8-7-10(12-2)15-11(14-8)9-3-5-13-6-4-9;;/h7,9,13H,3-6H2,1-2H3,(H,12,14,15);2*1H
• InChIKey: YBAVOXBXQBROFC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,6-dimethyl-2-(piperidin-4-yl)pyrimidin-4-amine dihydrochloride
• IUPAC Traditional name: N,6-dimethyl-2-(piperidin-4-yl)pyrimidin-4-amine dihydrochloride
• Synonyms: Methyl-(6-methyl-2-piperidin-4-yl-pyrimidin-4-yl)-amine dihydrochloride

Database IDs

• MDL Number: MFCD21606227
• PubChem SID: 162028724
• PubChem CID: 71298946

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.4771106
• LogD (pH = 7.4): -1.483249
• Log P: 0.954668
• Molar Refractivity: 62.8771 cm^3
• Polarizability: 23.205326 Å^3
• Polar Surface Area: 49.84 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false