4-(4-chloropyrimidin-2-yl)-2,6-dimethylmorpholine

• ChemBase ID: 802008
• Molecular Formular: C10H14ClN3O
• Molecular Mass: 227.69066
• Monoisotopic Mass: 227.08253976
• SMILES: C1C(OC(CN1c1nc(ccn1)Cl)C)C
• Canonical SMILES: CC1OC(C)CN(C1)c1nccc(n1)Cl
• InChI: InChI=1S/C10H14ClN3O/c1-7-5-14(6-8(2)15-7)10-12-4-3-9(11)13-10/h3-4,7-8H,5-6H2,1-2H3
• InChIKey: PWZOIOZBGIAUAU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-chloropyrimidin-2-yl)-2,6-dimethylmorpholine
• IUPAC Traditional name: 4-(4-chloropyrimidin-2-yl)-2,6-dimethylmorpholine
• Synonyms: 4-(4-CHLOROPYRIMIDIN-2-YL)-2,6-DIMETHYLMORPHOLINE

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.274107
• LogD (pH = 7.4): 2.27542
• Log P: 2.2754369
• Molar Refractivity: 60.8751 cm^3
• Polarizability: 22.669306 Å^3
• Polar Surface Area: 38.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%