5,7-dimethyl-N-[4-(oxolan-2-yl)butyl]pyrido[2,3-d]pyrimidin-4-amine

• ChemBase ID: 604016
• Molecular Formular: C17H24N4O
• Molecular Mass: 300.39866
• Monoisotopic Mass: 300.19501141
• SMILES: c12c(c(cc(n1)C)C)c(ncn2)NCCCCC1OCCC1
• Canonical SMILES: Cc1cc(C)c2c(n1)ncnc2NCCCCC1CCCO1
• InChI: InChI=1S/C17H24N4O/c1-12-10-13(2)21-17-15(12)16(19-11-20-17)18-8-4-3-6-14-7-5-9-22-14/h10-11,14H,3-9H2,1-2H3,(H,18,19,20,21)
• InChIKey: CCUIYQHDMZLSLU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,7-dimethyl-N-[4-(oxolan-2-yl)butyl]pyrido[2,3-d]pyrimidin-4-amine
• IUPAC Traditional name: 5,7-dimethyl-N-[4-(oxolan-2-yl)butyl]pyrido[2,3-d]pyrimidin-4-amine
• Synonyms: 5,7-dimethyl-N-[4-(tetrahydrofuran-2-yl)butyl]pyrido[2,3-d]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 19.1672
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.673808
• LogD (pH = 7.4): 2.6847606
• Log P: 2.684902
• Molar Refractivity: 90.7221 cm^3
• Polarizability: 33.844456 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: 2.21
• LOG S: -3.28
• Polar Surface Area: 59.93 Å^2
• Rotatable Bonds: 6