4-methyl-5-[1-(morpholin-4-yl)ethyl]pyrimidin-2-amine

• ChemBase ID: 276352
• Molecular Formular: C11H18N4O
• Molecular Mass: 222.28682
• Monoisotopic Mass: 222.14806122
• SMILES: c1(c(nc(nc1)N)C)C(N1CCOCC1)C
• Canonical SMILES: Nc1ncc(c(n1)C)C(N1CCOCC1)C
• InChI: InChI=1S/C11H18N4O/c1-8-10(7-13-11(12)14-8)9(2)15-3-5-16-6-4-15/h7,9H,3-6H2,1-2H3,(H2,12,13,14)
• InChIKey: FHKFKHPUTHOSDS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-5-[1-(morpholin-4-yl)ethyl]pyrimidin-2-amine
• IUPAC Traditional name: 4-methyl-5-[1-(morpholin-4-yl)ethyl]pyrimidin-2-amine
• Synonyms: 4-methyl-5-(1-morpholin-4-ylethyl)pyrimidin-2-amine

Database IDs

• MDL Number: MFCD19382154
• PubChem SID: 164332262
• PubChem CID: 54594149

CALCULATED PROPERTIES

• Acid pKa: 16.76745
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.7669557
• LogD (pH = 7.4): 0.13039544
• Log P: 0.17043704
• Molar Refractivity: 63.9962 cm^3
• Polarizability: 23.982666 Å^3
• Polar Surface Area: 64.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.811

Product Information

• Purity: 95%