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

• ChemBase ID: 815528
• Molecular Formular: C10H17ClN4O
• Molecular Mass: 244.72118
• Monoisotopic Mass: 244.10908886
• SMILES: Cl.C(Cc1ncc(cn1)N1CCOCC1)N
• Canonical SMILES: NCCc1ncc(cn1)N1CCOCC1.Cl
• InChI: InChI=1S/C10H16N4O.ClH/c11-2-1-10-12-7-9(8-13-10)14-3-5-15-6-4-14;/h7-8H,1-6,11H2;1H
• InChIKey: ZCRBQOBIZYTEKL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1196145-45-5

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -3.4003463
• LogD (pH = 7.4): -2.3187711
• Log P: -0.2541774
• Molar Refractivity: 58.9089 cm^3
• Polarizability: 22.148996 Å^3
• Polar Surface Area: 64.27 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%