3-(2-methoxyethyl)-3H,4H-pyrido[2,3-d]pyrimidin-4-one

• ChemBase ID: 865581
• Molecular Formular: C10H11N3O2
• Molecular Mass: 205.21324
• Monoisotopic Mass: 205.08512661
• SMILES: c1(=O)c2c(ncn1CCOC)nccc2
• Canonical SMILES: COCCn1cnc2c(c1=O)cccn2
• InChI: InChI=1S/C10H11N3O2/c1-15-6-5-13-7-12-9-8(10(13)14)3-2-4-11-9/h2-4,7H,5-6H2,1H3
• InChIKey: WLBQXKBAEFLTLW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-methoxyethyl)-3H,4H-pyrido[2,3-d]pyrimidin-4-one
• IUPAC Traditional name: 3-(2-methoxyethyl)pyrido[2,3-d]pyrimidin-4-one
• Synonyms: 3-(2-methoxyethyl)pyrido[2,3-d]pyrimidin-4(3H)-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.27822527
• LogD (pH = 7.4): 0.27822742
• Log P: 0.27822745
• Molar Refractivity: 56.9962 cm^3
• Polarizability: 20.349634 Å^3
• Polar Surface Area: 54.79 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: -0.48
• LOG S: -1.6
• Polar Surface Area: 57.01 Å^2
• Rotatable Bonds: 3