N,N-dimethyl-4-(piperidin-3-yl)pyrimidin-2-amine dihydrochloride

• ChemBase ID: 62828
• Molecular Formular: C11H20Cl2N4
• Molecular Mass: 279.2093
• Monoisotopic Mass: 278.10650202
• SMILES: c1(nc(C2CNCCC2)ccn1)N(C)C.Cl.Cl
• Canonical SMILES: CN(c1nccc(n1)C1CCCNC1)C.Cl.Cl
• InChI: InChI=1S/C11H18N4.2ClH/c1-15(2)11-13-7-5-10(14-11)9-4-3-6-12-8-9;;/h5,7,9,12H,3-4,6,8H2,1-2H3;2*1H
• InChIKey: BSILVSWTZBFHLA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-4-(piperidin-3-yl)pyrimidin-2-amine dihydrochloride
• IUPAC Traditional name: N,N-dimethyl-4-(piperidin-3-yl)pyrimidin-2-amine dihydrochloride
• Synonyms: Dimethyl-(4-piperidin-3-yl-pyrimidin-2-yl)-amine dihydrochloride

Database IDs

• MDL Number: MFCD21606098
• PubChem SID: 162028567
• PubChem CID: 71298832

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.9753729
• LogD (pH = 7.4): -1.042018
• Log P: 1.2274208
• Molar Refractivity: 61.966 cm^3
• Polarizability: 23.285467 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