2-(2,6-dimethylmorpholin-4-yl)-6-methylpyrimidin-4-amine

• ChemBase ID: 114572
• Molecular Formular: C11H18N4O
• Molecular Mass: 222.28682
• Monoisotopic Mass: 222.14806122
• SMILES: c1(nc(cc(n1)C)N)N1CC(OC(C1)C)C
• Canonical SMILES: CC1OC(C)CN(C1)c1nc(C)cc(n1)N
• InChI: InChI=1S/C11H18N4O/c1-7-4-10(12)14-11(13-7)15-5-8(2)16-9(3)6-15/h4,8-9H,5-6H2,1-3H3,(H2,12,13,14)
• InChIKey: YCLAQDWHZQYBNP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,6-dimethylmorpholin-4-yl)-6-methylpyrimidin-4-amine
• IUPAC Traditional name: 2-(2,6-dimethylmorpholin-4-yl)-6-methylpyrimidin-4-amine
• Synonyms: 2-(2,6-dimethylmorpholin-4-yl)-6-methylpyrimidin-4-amine

Database IDs

• MDL Number: MFCD21091703
• PubChem SID: 162099545
• PubChem CID: 56724730

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.44516498
• LogD (pH = 7.4): 0.79244494
• Log P: 1.3481166
• Molar Refractivity: 64.6144 cm^3
• Polarizability: 23.60259 Å^3
• Polar Surface Area: 64.27 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 0.331

Product Information

• Purity: 95+%