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

• ChemBase ID: 62959
• Molecular Formular: C13H24Cl2N4
• Molecular Mass: 307.26246
• Monoisotopic Mass: 306.13780215
• SMILES: n1c(cc(nc1CC1CCNCC1)C)N(C)C.Cl.Cl
• Canonical SMILES: Cc1nc(CC2CCNCC2)nc(c1)N(C)C.Cl.Cl
• InChI: InChI=1S/C13H22N4.2ClH/c1-10-8-13(17(2)3)16-12(15-10)9-11-4-6-14-7-5-11;;/h8,11,14H,4-7,9H2,1-3H3;2*1H
• InChIKey: DJNAAKKQXKWJNE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD21606205
• PubChem SID: 162028698
• PubChem CID: 71298927

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.858592
• LogD (pH = 7.4): -1.1220772
• Log P: 1.7919679
• Molar Refractivity: 71.687 cm^3
• Polarizability: 26.890472 Å^3
• Polar Surface Area: 41.05 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false