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

• ChemBase ID: 277895
• Molecular Formular: C15H26N4
• Molecular Mass: 262.39374
• Monoisotopic Mass: 262.21574685
• SMILES: n1c(N2CCC(CC2)NCC)cc(nc1C(C)C)C
• Canonical SMILES: CCNC1CCN(CC1)c1cc(C)nc(n1)C(C)C
• InChI: InChI=1S/C15H26N4/c1-5-16-13-6-8-19(9-7-13)14-10-12(4)17-15(18-14)11(2)3/h10-11,13,16H,5-9H2,1-4H3
• InChIKey: DXGGQYZIWOTPKY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12605904
• PubChem SID: 164333805
• PubChem CID: 53534957

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.7779292
• LogD (pH = 7.4): -0.1820147
• Log P: 2.7458527
• Molar Refractivity: 80.7867 cm^3
• Polarizability: 30.577175 Å^3
• Polar Surface Area: 41.05 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.881

Product Information

• Purity: 95%