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

• ChemBase ID: 62958
• Molecular Formular: C11H20Cl2N4
• Molecular Mass: 279.2093
• Monoisotopic Mass: 278.10650202
• SMILES: c1(nc(C2NCCCC2)ccn1)N(C)C.Cl.Cl
• Canonical SMILES: CN(c1nccc(n1)C1CCCCN1)C.Cl.Cl
• InChI: InChI=1S/C11H18N4.2ClH/c1-15(2)11-13-8-6-10(14-11)9-5-3-4-7-12-9;;/h6,8-9,12H,3-5,7H2,1-2H3;2*1H
• InChIKey: OEJXVBSFMZFGCB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD21606204
• PubChem SID: 162028697
• PubChem CID: 71298926

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.1222082
• LogD (pH = 7.4): 0.59614736
• Log P: 1.5387084
• Molar Refractivity: 61.71 cm^3
• Polarizability: 23.36157 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