{[6-methyl-2-(piperidin-1-yl)pyrimidin-4-yl]methyl}(2-methylpropyl)amine

• ChemBase ID: 245064
• Molecular Formular: C15H26N4
• Molecular Mass: 262.39374
• Monoisotopic Mass: 262.21574685
• SMILES: c1(nc(cc(n1)CNCC(C)C)C)N1CCCCC1
• Canonical SMILES: CC(CNCc1cc(C)nc(n1)N1CCCCC1)C
• InChI: InChI=1S/C15H26N4/c1-12(2)10-16-11-14-9-13(3)17-15(18-14)19-7-5-4-6-8-19/h9,12,16H,4-8,10-11H2,1-3H3
• InChIKey: POPLUSDUPRZKSG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[6-methyl-2-(piperidin-1-yl)pyrimidin-4-yl]methyl}(2-methylpropyl)amine
• IUPAC Traditional name: {[6-methyl-2-(piperidin-1-yl)pyrimidin-4-yl]methyl}(2-methylpropyl)amine
• Synonyms: {[6-methyl-2-(piperidin-1-yl)pyrimidin-4-yl]methyl}(2-methylpropyl)amine

Database IDs

• MDL Number: MFCD17384408
• PubChem SID: 164300974
• PubChem CID: 55114574

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.19259281
• LogD (pH = 7.4): 1.4294682
• Log P: 2.7024255
• Molar Refractivity: 80.3004 cm^3
• Polarizability: 30.656647 Å^3
• Polar Surface Area: 41.05 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.591

Product Information

• Purity: 95%