1-({2,4-dimethyl-5H,6H-furo[2,3-d]pyrimidin-6-yl}methyl)-3-methoxy-1,2-dihydropyridin-2-one

• ChemBase ID: 833196
• Molecular Formular: C15H17N3O3
• Molecular Mass: 287.31378
• Monoisotopic Mass: 287.12699142
• SMILES: c12c(c(nc(n1)C)C)CC(O2)Cn1c(=O)c(ccc1)OC
• Canonical SMILES: COc1cccn(c1=O)CC1Oc2c(C1)c(C)nc(n2)C
• InChI: InChI=1S/C15H17N3O3/c1-9-12-7-11(21-14(12)17-10(2)16-9)8-18-6-4-5-13(20-3)15(18)19/h4-6,11H,7-8H2,1-3H3
• InChIKey: OWAPHDBVQGDKMK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-({2,4-dimethyl-5H,6H-furo[2,3-d]pyrimidin-6-yl}methyl)-3-methoxy-1,2-dihydropyridin-2-one
• IUPAC Traditional name: 1-({2,4-dimethyl-5H,6H-furo[2,3-d]pyrimidin-6-yl}methyl)-3-methoxypyridin-2-one
• Synonyms: 1-[(2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidin-6-yl)methyl]-3-methoxypyridin-2(1H)-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.3471268
• LogD (pH = 7.4): 1.3927766
• Log P: 1.393391
• Molar Refractivity: 79.3863 cm^3
• Polarizability: 29.313307 Å^3
• Polar Surface Area: 64.55 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.64
• LOG S: -1.84
• Polar Surface Area: 66.24 Å^2
• Rotatable Bonds: 3