1-{5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl}-3-(propoxymethyl)pyrrolidine

• ChemBase ID: 551136
• Molecular Formular: C17H24N4O
• Molecular Mass: 300.39866
• Monoisotopic Mass: 300.19501141
• SMILES: c12c(N3CC(CC3)COCCC)ncnc1nc(cc2C)C
• Canonical SMILES: CCCOCC1CCN(C1)c1ncnc2c1c(C)cc(n2)C
• InChI: InChI=1S/C17H24N4O/c1-4-7-22-10-14-5-6-21(9-14)17-15-12(2)8-13(3)20-16(15)18-11-19-17/h8,11,14H,4-7,9-10H2,1-3H3
• InChIKey: LRAZSYFUGKAXBZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl}-3-(propoxymethyl)pyrrolidine
• IUPAC Traditional name: 1-{5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl}-3-(propoxymethyl)pyrrolidine
• Synonyms: 5,7-dimethyl-4-[3-(propoxymethyl)pyrrolidin-1-yl]pyrido[2,3-d]pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.769447
• LogD (pH = 7.4): 2.7776868
• Log P: 2.777793
• Molar Refractivity: 90.4575 cm^3
• Polarizability: 33.844162 Å^3
• Polar Surface Area: 51.14 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: 1.82
• LOG S: -2.94
• Polar Surface Area: 51.14 Å^2
• Rotatable Bonds: 5