N,N,2-trimethyl-6-(piperidin-3-yl)pyrimidin-4-amine trihydrochloride

• ChemBase ID: 62994
• Molecular Formular: C12H23Cl3N4
• Molecular Mass: 329.69682
• Monoisotopic Mass: 328.0988298
• SMILES: c1(nc(nc(c1)C1CNCCC1)C)N(C)C.Cl.Cl.Cl
• Canonical SMILES: Cc1nc(cc(n1)N(C)C)C1CCCNC1.Cl.Cl.Cl
• InChI: InChI=1S/C12H20N4.3ClH/c1-9-14-11(7-12(15-9)16(2)3)10-5-4-6-13-8-10;;;/h7,10,13H,4-6,8H2,1-3H3;3*1H
• InChIKey: XDULKOWBDNCCMZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N,2-trimethyl-6-(piperidin-3-yl)pyrimidin-4-amine trihydrochloride
• IUPAC Traditional name: N,N,2-trimethyl-6-(piperidin-3-yl)pyrimidin-4-amine trihydrochloride
• Synonyms: Dimethyl-(2-methyl-6-piperidin-3-yl-pyrimidin-4-yl)-amine trihydrochloride

Database IDs

• MDL Number: MFCD21606234
• PubChem SID: 162028733
• PubChem CID: 71298953

CALCULATED PROPERTIES

• Polarizability: 25.046547 Å^3
• Polar Surface Area: 41.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.6982975
• LogD (pH = 7.4): -0.5223716
• Log P: 1.746399
• Molar Refractivity: 66.9579 cm^3

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false