1-(2-methoxyethyl)-1H,2H,4H-pyrido[2,3-d][1,3]oxazine-2,4-dione

• ChemBase ID: 53326
• Molecular Formular: C10H10N2O4
• Molecular Mass: 222.1974
• Monoisotopic Mass: 222.06405681
• SMILES: c1cnc2c(c1)c(=O)oc(=O)n2CCOC
• Canonical SMILES: COCCn1c(=O)oc(=O)c2c1nccc2
• InChI: InChI=1S/C10H10N2O4/c1-15-6-5-12-8-7(3-2-4-11-8)9(13)16-10(12)14/h2-4H,5-6H2,1H3
• InChIKey: WZTUATXXESWDBL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-methoxyethyl)-1H,2H,4H-pyrido[2,3-d][1,3]oxazine-2,4-dione
• IUPAC Traditional name: 1-(2-methoxyethyl)pyrido[2,3-d][1,3]oxazine-2,4-dione
• Synonyms: 1-(2-Methoxyethyl)-1H-pyrido[2,3-d][1,3]oxazine-2,4-dione

Database IDs

• MDL Number: MFCD17011898
• PubChem SID: 162058089
• PubChem CID: 49758032

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.6699795
• LogD (pH = 7.4): 0.6699838
• Log P: 0.66998386
• Molar Refractivity: 54.1423 cm^3
• Polarizability: 20.658674 Å^3
• Polar Surface Area: 68.73 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%