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

• ChemBase ID: 62965
• Molecular Formular: C12H22Cl2N4
• Molecular Mass: 293.23588
• Monoisotopic Mass: 292.12215208
• SMILES: n1c(nc(cc1NC)C)CC1CCNCC1.Cl.Cl
• Canonical SMILES: CNc1nc(CC2CCNCC2)nc(c1)C.Cl.Cl
• InChI: InChI=1S/C12H20N4.2ClH/c1-9-7-11(13-2)16-12(15-9)8-10-3-5-14-6-4-10;;/h7,10,14H,3-6,8H2,1-2H3,(H,13,15,16);2*1H
• InChIKey: URZVGJXLNCEUSF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD21606208
• PubChem SID: 162028704
• PubChem CID: 71298930

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.5777009
• LogD (pH = 7.4): -1.787206
• Log P: 1.1461765
• Molar Refractivity: 67.4522 cm^3
• Polarizability: 25.048063 Å^3
• Polar Surface Area: 49.84 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false