benzyl N-[2-(5-hydroxypyrimidin-2-yl)ethyl]carbamate

• ChemBase ID: 803837
• Molecular Formular: C14H15N3O3
• Molecular Mass: 273.2872
• Monoisotopic Mass: 273.11134136
• SMILES: N(C(=O)OCc1ccccc1)CCc1ncc(cn1)O
• Canonical SMILES: O=C(OCc1ccccc1)NCCc1ncc(cn1)O
• InChI: InChI=1S/C14H15N3O3/c18-12-8-16-13(17-9-12)6-7-15-14(19)20-10-11-4-2-1-3-5-11/h1-5,8-9,18H,6-7,10H2,(H,15,19)
• InChIKey: COWYCZZNXMDJPF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl N-[2-(5-hydroxypyrimidin-2-yl)ethyl]carbamate
• IUPAC Traditional name: benzyl N-[2-(5-hydroxypyrimidin-2-yl)ethyl]carbamate
• Synonyms: BENZYL [2-(5-HYDROXYPYRIMIDIN-2-YL)ETHYL]CARBAMATE

CALCULATED PROPERTIES

• Acid pKa: 7.8212357
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.7650361
• LogD (pH = 7.4): 1.6329275
• Log P: 1.7670518
• Molar Refractivity: 73.0667 cm^3
• Polarizability: 28.026384 Å^3
• Polar Surface Area: 84.34 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%