2-(2,6-dimethylmorpholin-4-yl)-N,6-dimethylpyrimidin-4-amine

• ChemBase ID: 114600
• Molecular Formular: C12H20N4O
• Molecular Mass: 236.3134
• Monoisotopic Mass: 236.16371128
• SMILES: c1(nc(cc(n1)C)NC)N1CC(OC(C1)C)C
• Canonical SMILES: CNc1cc(C)nc(n1)N1CC(C)OC(C1)C
• InChI: InChI=1S/C12H20N4O/c1-8-5-11(13-4)15-12(14-8)16-6-9(2)17-10(3)7-16/h5,9-10H,6-7H2,1-4H3,(H,13,14,15)
• InChIKey: DCKKKDGDBJIOBR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD21091727
• PubChem SID: 162100625
• PubChem CID: 56724754

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.116257794
• LogD (pH = 7.4): 1.1550721
• Log P: 1.6498208
• Molar Refractivity: 70.1078 cm^3
• Polarizability: 25.43893 Å^3
• Polar Surface Area: 50.28 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 0.65

Product Information

• Purity: 95+%