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

• ChemBase ID: 815525
• Molecular Formular: C10H17ClN4O
• Molecular Mass: 244.72118
• Monoisotopic Mass: 244.10908886
• SMILES: Cl.C(Cc1nc(ccn1)N1CCOCC1)N
• Canonical SMILES: NCCc1nccc(n1)N1CCOCC1.Cl
• InChI: InChI=1S/C10H16N4O.ClH/c11-3-1-9-12-4-2-10(13-9)14-5-7-15-8-6-14;/h2,4H,1,3,5-8,11H2;1H
• InChIKey: AIBPOZHOUCNPJN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1196146-79-8

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -2.797287
• LogD (pH = 7.4): -1.6185831
• Log P: 0.37219772
• Molar Refractivity: 59.2224 cm^3
• Polarizability: 22.14464 Å^3
• Polar Surface Area: 64.27 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%