4-(4-chloro-6-methylpyrimidin-2-yl)morpholine

• ChemBase ID: 308032
• Molecular Formular: C9H12ClN3O
• Molecular Mass: 213.66408
• Monoisotopic Mass: 213.0668897
• SMILES: c1(nc(cc(n1)C)Cl)N1CCOCC1
• Canonical SMILES: Cc1cc(Cl)nc(n1)N1CCOCC1
• InChI: InChI=1S/C9H12ClN3O/c1-7-6-8(10)12-9(11-7)13-2-4-14-5-3-13/h6H,2-5H2,1H3
• InChIKey: RZJHEWQAORJNGN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-chloro-6-methylpyrimidin-2-yl)morpholine
• IUPAC Traditional name: 4-(4-chloro-6-methylpyrimidin-2-yl)morpholine
• Synonyms: 4-(4-chloro-6-methyl-2-pyrimidinyl)morpholine

Database IDs

• CAS Number: 118121-82-7
• MDL Number: MFCD00181495

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.5665115
• LogD (pH = 7.4): 1.5735662
• Log P: 1.5736569
• Molar Refractivity: 56.629 cm^3
• Polarizability: 20.766207 Å^3
• Polar Surface Area: 38.25 Å^2