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

• ChemBase ID: 62990
• Molecular Formular: C12H22Cl2N4
• Molecular Mass: 293.23588
• Monoisotopic Mass: 292.12215208
• SMILES: c1(nc(nc(c1)C1CCNCC1)C)N(C)C.Cl.Cl
• Canonical SMILES: Cc1nc(cc(n1)N(C)C)C1CCNCC1.Cl.Cl
• InChI: InChI=1S/C12H20N4.2ClH/c1-9-14-11(8-12(15-9)16(2)3)10-4-6-13-7-5-10;;/h8,10,13H,4-7H2,1-3H3;2*1H
• InChIKey: YYRKWMAHXBAKBI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD21606232
• PubChem SID: 162028729
• PubChem CID: 71298951

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.8550122
• LogD (pH = 7.4): -0.89766574
• Log P: 1.6004595
• Molar Refractivity: 67.1119 cm^3
• Polarizability: 25.046923 Å^3
• Polar Surface Area: 41.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false