2-({5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl}amino)-2-methylpropan-1-ol

• ChemBase ID: 352896
• Molecular Formular: C13H18N4O
• Molecular Mass: 246.30822
• Monoisotopic Mass: 246.14806122
• SMILES: c1(c2c(nc(cc2C)C)ncn1)NC(CO)(C)C
• Canonical SMILES: OCC(Nc1ncnc2c1c(C)cc(n2)C)(C)C
• InChI: InChI=1S/C13H18N4O/c1-8-5-9(2)16-11-10(8)12(15-7-14-11)17-13(3,4)6-18/h5,7,18H,6H2,1-4H3,(H,14,15,16,17)
• InChIKey: OOAUMTZERKGCNN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-({5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl}amino)-2-methylpropan-1-ol
• IUPAC Traditional name: 2-({5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl}amino)-2-methylpropan-1-ol
• Synonyms: 2-[(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)amino]-2-methylpropan-1-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.771641
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 1.2416254
• LogD (pH = 7.4): 1.2513461
• Log P: 1.2514715
• Molar Refractivity: 73.7057 cm^3
• Polarizability: 27.132763 Å^3
• Polar Surface Area: 70.93 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.0
• LOG S: -1.85
• Polar Surface Area: 70.93 Å^2
• Rotatable Bonds: 3