N,6-dimethyl-2-(morpholin-4-yl)pyrimidin-4-amine

• ChemBase ID: 113396
• Molecular Formular: C10H16N4O
• Molecular Mass: 208.26024
• Monoisotopic Mass: 208.13241115
• SMILES: c1(nc(cc(n1)C)NC)N1CCOCC1
• Canonical SMILES: CNc1cc(C)nc(n1)N1CCOCC1
• InChI: InChI=1S/C10H16N4O/c1-8-7-9(11-2)13-10(12-8)14-3-5-15-6-4-14/h7H,3-6H2,1-2H3,(H,11,12,13)
• InChIKey: PJQFDCJCIPQQFR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,6-dimethyl-2-(morpholin-4-yl)pyrimidin-4-amine
• IUPAC Traditional name: N,6-dimethyl-2-(morpholin-4-yl)pyrimidin-4-amine
• Synonyms: N,6-dimethyl-2-morpholin-4-ylpyrimidin-4-amine

Database IDs

• MDL Number: MFCD02998764
• PubChem SID: 162100172
• PubChem CID: 697248

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.95127535
• LogD (pH = 7.4): 0.31809747
• Log P: 0.8166707
• Molar Refractivity: 61.2702 cm^3
• Polarizability: 21.76687 Å^3
• Polar Surface Area: 50.28 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: -0.274

Product Information

• Purity: 95+%