2-[2-(morpholin-4-yl)pyrimidin-5-yl]ethan-1-amine hydrochloride

• ChemBase ID: 815509
• Molecular Formular: C10H17ClN4O
• Molecular Mass: 244.72118
• Monoisotopic Mass: 244.10908886
• SMILES: Cl.C(Cc1cnc(nc1)N1CCOCC1)N
• Canonical SMILES: NCCc1cnc(nc1)N1CCOCC1.Cl
• InChI: InChI=1S/C10H16N4O.ClH/c11-2-1-9-7-12-10(13-8-9)14-3-5-15-6-4-14;/h7-8H,1-6,11H2;1H
• InChIKey: WOBSAWYVXSXHOH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(morpholin-4-yl)pyrimidin-5-yl]ethan-1-amine hydrochloride
• IUPAC Traditional name: 2-[2-(morpholin-4-yl)pyrimidin-5-yl]ethanamine hydrochloride
• Synonyms: 2-(2-morpholinopyrimidin-5-yl)ethanamine hydrochloride

Database IDs

• CAS Number: 1196154-56-9

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -2.9724262
• LogD (pH = 7.4): -2.2008336
• Log P: 0.032494526
• Molar Refractivity: 59.3998 cm^3
• Polarizability: 22.147896 Å^3
• Polar Surface Area: 64.27 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%