N-{1,9-dioxaspiro[5.5]undecan-4-yl}-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine

• ChemBase ID: 556097
• Molecular Formular: C18H24N4O2
• Molecular Mass: 328.40876
• Monoisotopic Mass: 328.18992603
• SMILES: c1(c2c(nc(cc2C)C)ncn1)NC1CC2(OCC1)CCOCC2
• Canonical SMILES: Cc1cc(C)c2c(n1)ncnc2NC1CCOC2(C1)CCOCC2
• InChI: InChI=1S/C18H24N4O2/c1-12-9-13(2)21-16-15(12)17(20-11-19-16)22-14-3-6-24-18(10-14)4-7-23-8-5-18/h9,11,14H,3-8,10H2,1-2H3,(H,19,20,21,22)
• InChIKey: LGMFXJQTFRZJAN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{1,9-dioxaspiro[5.5]undecan-4-yl}-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine
• IUPAC Traditional name: N-{1,9-dioxaspiro[5.5]undecan-4-yl}-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine
• Synonyms: N-1,9-dioxaspiro[5.5]undec-4-yl-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 17.972118
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 1.0800307
• LogD (pH = 7.4): 1.0904286
• Log P: 1.0905628
• Molar Refractivity: 95.197 cm^3
• Polarizability: 35.65251 Å^3
• Polar Surface Area: 69.16 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.37
• LOG S: -2.77
• Polar Surface Area: 69.16 Å^2
• Rotatable Bonds: 2