N-{[1-(ethoxymethyl)cyclobutyl]methyl}-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine

• ChemBase ID: 618422
• Molecular Formular: C17H24N4O
• Molecular Mass: 300.39866
• Monoisotopic Mass: 300.19501141
• SMILES: c12c(c(cc(n1)C)C)c(ncn2)NCC1(COCC)CCC1
• Canonical SMILES: CCOCC1(CCC1)CNc1ncnc2c1c(C)cc(n2)C
• InChI: InChI=1S/C17H24N4O/c1-4-22-10-17(6-5-7-17)9-18-15-14-12(2)8-13(3)21-16(14)20-11-19-15/h8,11H,4-7,9-10H2,1-3H3,(H,18,19,20,21)
• InChIKey: UCZOMRIAXHIGNT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[1-(ethoxymethyl)cyclobutyl]methyl}-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine
• IUPAC Traditional name: N-{[1-(ethoxymethyl)cyclobutyl]methyl}-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine
• Synonyms: N-{[1-(ethoxymethyl)cyclobutyl]methyl}-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 18.621405
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.555739
• LogD (pH = 7.4): 2.5665917
• Log P: 2.566732
• Molar Refractivity: 90.572 cm^3
• Polarizability: 33.84445 Å^3
• Polar Surface Area: 59.93 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.44
• LOG S: -3.48
• Polar Surface Area: 59.93 Å^2
• Rotatable Bonds: 6