5,7-dimethyl-N-{1-oxaspiro[4.4]nonan-3-yl}pyrido[2,3-d]pyrimidin-4-amine

• ChemBase ID: 748581
• Molecular Formular: C17H22N4O
• Molecular Mass: 298.38278
• Monoisotopic Mass: 298.17936134
• SMILES: c1(c2c(nc(cc2C)C)ncn1)NC1CC2(OC1)CCCC2
• Canonical SMILES: Cc1cc(C)c2c(n1)ncnc2NC1COC2(C1)CCCC2
• InChI: InChI=1S/C17H22N4O/c1-11-7-12(2)20-15-14(11)16(19-10-18-15)21-13-8-17(22-9-13)5-3-4-6-17/h7,10,13H,3-6,8-9H2,1-2H3,(H,18,19,20,21)
• InChIKey: RKCRMYOLRSYNBN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,7-dimethyl-N-{1-oxaspiro[4.4]nonan-3-yl}pyrido[2,3-d]pyrimidin-4-amine
• IUPAC Traditional name: 5,7-dimethyl-N-{1-oxaspiro[4.4]nonan-3-yl}pyrido[2,3-d]pyrimidin-4-amine
• Synonyms: 5,7-dimethyl-N-1-oxaspiro[4.4]non-3-ylpyrido[2,3-d]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.66585
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.413918
• LogD (pH = 7.4): 2.4239888
• Log P: 2.4241188
• Molar Refractivity: 88.2693 cm^3
• Polarizability: 33.114784 Å^3
• Polar Surface Area: 59.93 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.09
• LOG S: -3.16
• Polar Surface Area: 59.93 Å^2
• Rotatable Bonds: 2