(2,3-dihydro-1-benzofuran-2-ylmethyl)[(2-ethylpyrimidin-4-yl)methyl]methylamine

• ChemBase ID: 755288
• Molecular Formular: C17H21N3O
• Molecular Mass: 283.36814
• Monoisotopic Mass: 283.16846231
• SMILES: O1c2c(CC1CN(Cc1nc(ncc1)CC)C)cccc2
• Canonical SMILES: CCc1nccc(n1)CN(CC1Cc2c(O1)cccc2)C
• InChI: InChI=1S/C17H21N3O/c1-3-17-18-9-8-14(19-17)11-20(2)12-15-10-13-6-4-5-7-16(13)21-15/h4-9,15H,3,10-12H2,1-2H3
• InChIKey: UUAQGNBYYUUAET-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,3-dihydro-1-benzofuran-2-ylmethyl)[(2-ethylpyrimidin-4-yl)methyl]methylamine
• IUPAC Traditional name: (2,3-dihydro-1-benzofuran-2-ylmethyl)[(2-ethylpyrimidin-4-yl)methyl]methylamine
• Synonyms: (2,3-dihydro-1-benzofuran-2-ylmethyl)[(2-ethylpyrimidin-4-yl)methyl]methylamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.5076056
• LogD (pH = 7.4): 2.8497381
• Log P: 2.986025
• Molar Refractivity: 83.5261 cm^3
• Polarizability: 32.34527 Å^3
• Polar Surface Area: 38.25 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.02
• LOG S: -1.98
• Polar Surface Area: 38.25 Å^2
• Rotatable Bonds: 5