6-methoxy-N-methyl-N-[3-(oxolan-2-yl)propyl]pyrimidin-4-amine

• ChemBase ID: 669453
• Molecular Formular: C13H21N3O2
• Molecular Mass: 251.32474
• Monoisotopic Mass: 251.16337693
• SMILES: c1(cc(ncn1)OC)N(CCCC1OCCC1)C
• Canonical SMILES: COc1ncnc(c1)N(CCCC1CCCO1)C
• InChI: InChI=1S/C13H21N3O2/c1-16(7-3-5-11-6-4-8-18-11)12-9-13(17-2)15-10-14-12/h9-11H,3-8H2,1-2H3
• InChIKey: GAQBCBJDFVKIKX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxy-N-methyl-N-[3-(oxolan-2-yl)propyl]pyrimidin-4-amine
• IUPAC Traditional name: 6-methoxy-N-methyl-N-[3-(oxolan-2-yl)propyl]pyrimidin-4-amine
• Synonyms: 6-methoxy-N-methyl-N-[3-(tetrahydrofuran-2-yl)propyl]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.1099381
• LogD (pH = 7.4): 2.1839032
• Log P: 2.1849346
• Molar Refractivity: 72.0058 cm^3
• Polarizability: 26.901157 Å^3
• Polar Surface Area: 47.48 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.42
• LOG S: -3.1
• Polar Surface Area: 47.48 Å^2
• Rotatable Bonds: 6