5-(ethoxymethyl)-2-methyl-3,4-dihydropyrimidin-4-one

• ChemBase ID: 168351
• Molecular Formular: C8H12N2O2
• Molecular Mass: 168.19308
• Monoisotopic Mass: 168.08987763
• SMILES: c1([nH]c(=O)c(cn1)COCC)C
• Canonical SMILES: CCOCc1cnc([nH]c1=O)C
• InChI: InChI=1S/C8H12N2O2/c1-3-12-5-7-4-9-6(2)10-8(7)11/h4H,3,5H2,1-2H3,(H,9,10,11)
• InChIKey: AHCYODRJLKUEPX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(ethoxymethyl)-2-methyl-3,4-dihydropyrimidin-4-one
• IUPAC Traditional name: 5-(ethoxymethyl)-2-methyl-3H-pyrimidin-4-one
• Synonyms: 5-(Ethoxymethyl)-2-methyl-4(3H)-pyrimidinone, NSC 13143; NSC 51126; NSC 51127; 5-(Ethoxymethyl)-2-methyl-4-pyrimidinone

Database IDs

• CAS Number: 5423-97-2
• PubChem SID: 162262483
• PubChem CID: 224568

CALCULATED PROPERTIES

• Acid pKa: 11.490418
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.39440572
• LogD (pH = 7.4): -0.39440185
• Log P: -0.39437017
• Molar Refractivity: 44.9813 cm^3
• Polarizability: 17.150522 Å^3
• Polar Surface Area: 50.69 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichloromethane; Methanol
• Apperance: White Solid

DETAILS

Toronto Research Chemicals - E892470

5-(Ethoxymethyl)-2-methyl-4-pyrimidinone has been shown to increase locomotor activity in mice. Intermediate in the preparation of G protein-coupled receptor kinase (GRK) inhibitor.