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

• ChemBase ID: 802005
• Molecular Formular: C10H16N4O
• Molecular Mass: 208.26024
• Monoisotopic Mass: 208.13241115
• SMILES: C(C)(N)c1ncc(cn1)N1CCOCC1
• Canonical SMILES: CC(c1ncc(cn1)N1CCOCC1)N
• InChI: InChI=1S/C10H16N4O/c1-8(11)10-12-6-9(7-13-10)14-2-4-15-5-3-14/h6-8H,2-5,11H2,1H3
• InChIKey: LIRPXDQIXLPPKE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[5-(morpholin-4-yl)pyrimidin-2-yl]ethan-1-amine
• IUPAC Traditional name: 1-[5-(morpholin-4-yl)pyrimidin-2-yl]ethanamine
• Synonyms: 1-(5-MORPHOLIN-4-YLPYRIMIDIN-2-YL)ETHANAMINE

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -2.396075
• LogD (pH = 7.4): -0.6668237
• Log P: 0.079538055
• Molar Refractivity: 58.7034 cm^3
• Polarizability: 22.222656 Å^3
• Polar Surface Area: 64.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%