(2-{4-[6-(methoxymethyl)pyrimidin-4-yl]morpholin-2-yl}ethyl)dimethylamine

• ChemBase ID: 419831
• Molecular Formular: C14H24N4O2
• Molecular Mass: 280.36596
• Monoisotopic Mass: 280.18992603
• SMILES: c1(N2CC(OCC2)CCN(C)C)cc(ncn1)COC
• Canonical SMILES: COCc1ncnc(c1)N1CCOC(C1)CCN(C)C
• InChI: InChI=1S/C14H24N4O2/c1-17(2)5-4-13-9-18(6-7-20-13)14-8-12(10-19-3)15-11-16-14/h8,11,13H,4-7,9-10H2,1-3H3
• InChIKey: VCJRWSZYKGWJKL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-{4-[6-(methoxymethyl)pyrimidin-4-yl]morpholin-2-yl}ethyl)dimethylamine
• IUPAC Traditional name: (2-{4-[6-(methoxymethyl)pyrimidin-4-yl]morpholin-2-yl}ethyl)dimethylamine
• Synonyms: (2-{4-[6-(methoxymethyl)-4-pyrimidinyl]-2-morpholinyl}ethyl)dimethylamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -2.747122
• LogD (pH = 7.4): -1.394378
• Log P: 0.6293563
• Molar Refractivity: 80.1385 cm^3
• Polarizability: 30.275818 Å^3
• Polar Surface Area: 50.72 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: -0.44
• LOG S: 0.14
• Polar Surface Area: 50.72 Å^2
• Rotatable Bonds: 6