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

• ChemBase ID: 416608
• Molecular Formular: C14H20N4O
• Molecular Mass: 260.3348
• Monoisotopic Mass: 260.16371128
• SMILES: c12c(c(cc(n1)C)C)c(ncn2)NCCCCCO
• Canonical SMILES: OCCCCCNc1ncnc2c1c(C)cc(n2)C
• InChI: InChI=1S/C14H20N4O/c1-10-8-11(2)18-14-12(10)13(16-9-17-14)15-6-4-3-5-7-19/h8-9,19H,3-7H2,1-2H3,(H,15,16,17,18)
• InChIKey: YGSZTNONUDTSOX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.843914
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 1.565117
• LogD (pH = 7.4): 1.5760695
• Log P: 1.576211
• Molar Refractivity: 78.7597 cm^3
• Polarizability: 28.974352 Å^3
• Polar Surface Area: 70.93 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: 1.2
• LOG S: -2.12
• Polar Surface Area: 70.93 Å^2
• Rotatable Bonds: 6