4,6-dimethyl-2-(piperidin-3-yl)pyrimidine dihydrochloride

• ChemBase ID: 63064
• Molecular Formular: C11H19Cl2N3
• Molecular Mass: 264.19466
• Monoisotopic Mass: 263.09560298
• SMILES: c1(nc(cc(n1)C)C)C1CNCCC1.Cl.Cl
• Canonical SMILES: Cc1cc(C)nc(n1)C1CCCNC1.Cl.Cl
• InChI: InChI=1S/C11H17N3.2ClH/c1-8-6-9(2)14-11(13-8)10-4-3-5-12-7-10;;/h6,10,12H,3-5,7H2,1-2H3;2*1H
• InChIKey: CMOJIFDUANFALF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,6-dimethyl-2-(piperidin-3-yl)pyrimidine dihydrochloride
• IUPAC Traditional name: 4,6-dimethyl-2-(piperidin-3-yl)pyrimidine dihydrochloride
• Synonyms: 4,6-Dimethyl-2-piperidin-3-yl-pyrimidine dihydrochloride

Database IDs

• MDL Number: MFCD21606284
• PubChem SID: 162028803
• PubChem CID: 71299007

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.1603587
• LogD (pH = 7.4): -0.96525234
• Log P: 1.1183476
• Molar Refractivity: 56.8073 cm^3
• Polarizability: 21.994396 Å^3
• Polar Surface Area: 37.81 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false