2-chloro-N-(4-hydroxy-6-methoxypyrimidin-2-yl)acetamide hydrochloride

• ChemBase ID: 264361
• Molecular Formular: C7H9Cl2N3O3
• Molecular Mass: 254.07066
• Monoisotopic Mass: 253.00209652
• SMILES: c1(nc(cc(n1)OC)O)NC(=O)CCl.Cl
• Canonical SMILES: ClCC(=O)Nc1nc(O)cc(n1)OC.Cl
• InChI: InChI=1S/C7H8ClN3O3.ClH/c1-14-6-2-4(12)9-7(11-6)10-5(13)3-8;/h2H,3H2,1H3,(H2,9,10,11,12,13);1H
• InChIKey: FFRQWLPOTJIPAG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-(4-hydroxy-6-methoxypyrimidin-2-yl)acetamide hydrochloride
• IUPAC Traditional name: 2-chloro-N-(4-hydroxy-6-methoxypyrimidin-2-yl)acetamide hydrochloride
• Synonyms: 2-chloro-N-(4-hydroxy-6-methoxypyrimidin-2-yl)acetamide hydrochloride

Database IDs

• MDL Number: MFCD13196322
• PubChem SID: 164320271
• PubChem CID: 45792554

CALCULATED PROPERTIES

• Acid pKa: 11.405573
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 1.2312468
• LogD (pH = 7.4): 1.2312125
• Log P: 1.2312541
• Molar Refractivity: 51.3556 cm^3
• Polarizability: 18.61406 Å^3
• Polar Surface Area: 84.34 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.415

Product Information

• Purity: 95%