(2R)-2-[(6-methoxypyrimidin-4-yl)amino]-3-phenylpropan-1-ol

• ChemBase ID: 493767
• Molecular Formular: C14H17N3O2
• Molecular Mass: 259.30368
• Monoisotopic Mass: 259.1320768
• SMILES: c1(ncnc(c1)OC)N[C@H](Cc1ccccc1)CO
• Canonical SMILES: OC[C@H](Nc1ncnc(c1)OC)Cc1ccccc1
• InChI: InChI=1S/C14H17N3O2/c1-19-14-8-13(15-10-16-14)17-12(9-18)7-11-5-3-2-4-6-11/h2-6,8,10,12,18H,7,9H2,1H3,(H,15,16,17)/t12-/m1/s1
• InChIKey: FNFIQZMCHALKAY-GFCCVEGCSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-[(6-methoxypyrimidin-4-yl)amino]-3-phenylpropan-1-ol
• IUPAC Traditional name: (2R)-2-[(6-methoxypyrimidin-4-yl)amino]-3-phenylpropan-1-ol
• Synonyms: (2R)-2-[(6-methoxypyrimidin-4-yl)amino]-3-phenylpropan-1-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.091368
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 1.8517007
• LogD (pH = 7.4): 1.9353759
• Log P: 1.9365568
• Molar Refractivity: 75.3364 cm^3
• Polarizability: 27.85757 Å^3
• Polar Surface Area: 67.27 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.57
• LOG S: -3.29
• Polar Surface Area: 67.27 Å^2
• Rotatable Bonds: 6