N-methyl-1-[6-methyl-2-(propan-2-yl)pyrimidin-4-yl]piperidin-4-amine

• ChemBase ID: 270822
• Molecular Formular: C14H24N4
• Molecular Mass: 248.36716
• Monoisotopic Mass: 248.20009679
• SMILES: n1c(N2CCC(CC2)NC)cc(nc1C(C)C)C
• Canonical SMILES: CNC1CCN(CC1)c1cc(C)nc(n1)C(C)C
• InChI: InChI=1S/C14H24N4/c1-10(2)14-16-11(3)9-13(17-14)18-7-5-12(15-4)6-8-18/h9-10,12,15H,5-8H2,1-4H3
• InChIKey: VZWMRSZIRKKZOF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-1-[6-methyl-2-(propan-2-yl)pyrimidin-4-yl]piperidin-4-amine
• IUPAC Traditional name: 1-(2-isopropyl-6-methylpyrimidin-4-yl)-N-methylpiperidin-4-amine
• Synonyms: N-methyl-1-[6-methyl-2-(propan-2-yl)pyrimidin-4-yl]piperidin-4-amine

Database IDs

• MDL Number: MFCD12520337
• PubChem SID: 164326732
• PubChem CID: 50989055

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.1257043
• LogD (pH = 7.4): -0.47312438
• Log P: 2.3960686
• Molar Refractivity: 76.0381 cm^3
• Polarizability: 28.73342 Å^3
• Polar Surface Area: 41.05 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.352

Product Information

• Purity: 95%