N-[3-(cyclopentyloxy)propyl]-5-ethylpyrimidin-2-amine

• ChemBase ID: 482741
• Molecular Formular: C14H23N3O
• Molecular Mass: 249.35192
• Monoisotopic Mass: 249.18411237
• SMILES: c1(ncc(cn1)CC)NCCCOC1CCCC1
• Canonical SMILES: CCc1cnc(nc1)NCCCOC1CCCC1
• InChI: InChI=1S/C14H23N3O/c1-2-12-10-16-14(17-11-12)15-8-5-9-18-13-6-3-4-7-13/h10-11,13H,2-9H2,1H3,(H,15,16,17)
• InChIKey: TYBMNQHQNNLYFM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(cyclopentyloxy)propyl]-5-ethylpyrimidin-2-amine
• IUPAC Traditional name: N-[3-(cyclopentyloxy)propyl]-5-ethylpyrimidin-2-amine
• Synonyms: N-[3-(cyclopentyloxy)propyl]-5-ethylpyrimidin-2-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.457335
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.5248954
• LogD (pH = 7.4): 2.5269494
• Log P: 2.5269759
• Molar Refractivity: 74.8264 cm^3
• Polarizability: 27.977985 Å^3
• Polar Surface Area: 47.04 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.93
• LOG S: -3.52
• Polar Surface Area: 47.04 Å^2
• Rotatable Bonds: 7