3-[2-({5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl}amino)ethyl]-1,3-oxazinan-2-one

• ChemBase ID: 591502
• Molecular Formular: C15H19N5O2
• Molecular Mass: 301.34366
• Monoisotopic Mass: 301.15387487
• SMILES: c12c(c(cc(n1)C)C)c(ncn2)NCCN1C(=O)OCCC1
• Canonical SMILES: O=C1OCCCN1CCNc1ncnc2c1c(C)cc(n2)C
• InChI: InChI=1S/C15H19N5O2/c1-10-8-11(2)19-14-12(10)13(17-9-18-14)16-4-6-20-5-3-7-22-15(20)21/h8-9H,3-7H2,1-2H3,(H,16,17,18,19)
• InChIKey: SXJXSINLQHBSPJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[2-({5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl}amino)ethyl]-1,3-oxazinan-2-one
• IUPAC Traditional name: 3-[2-({5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl}amino)ethyl]-1,3-oxazinan-2-one
• Synonyms: 3-{2-[(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)amino]ethyl}-1,3-oxazinan-2-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 18.242777
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.9867964
• LogD (pH = 7.4): 0.9975478
• Log P: 0.9976867
• Molar Refractivity: 85.1667 cm^3
• Polarizability: 31.390919 Å^3
• Polar Surface Area: 80.24 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.86
• LOG S: -2.13
• Polar Surface Area: 80.24 Å^2
• Rotatable Bonds: 4