6-methyl-2-(morpholin-4-yl)pyrimidin-4-amine

• ChemBase ID: 114571
• Molecular Formular: C9H14N4O
• Molecular Mass: 194.23366
• Monoisotopic Mass: 194.11676109
• SMILES: c1(nc(cc(n1)C)N)N1CCOCC1
• Canonical SMILES: Cc1cc(N)nc(n1)N1CCOCC1
• InChI: InChI=1S/C9H14N4O/c1-7-6-8(10)12-9(11-7)13-2-4-14-5-3-13/h6H,2-5H2,1H3,(H2,10,11,12)
• InChIKey: UJYHTKFDQSFBTE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methyl-2-(morpholin-4-yl)pyrimidin-4-amine
• IUPAC Traditional name: 6-methyl-2-(morpholin-4-yl)pyrimidin-4-amine
• Synonyms: 6-methyl-2-morpholin-4-ylpyrimidin-4-amine; 6-methyl-2-(morpholin-4-yl)pyrimidin-4-amine

Database IDs

• MDL Number: MFCD02991962
• PubChem SID: 162099544
• PubChem CID: 13537844

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.2799374
• LogD (pH = 7.4): -0.04474345
• Log P: 0.5149666
• Molar Refractivity: 55.7768 cm^3
• Polarizability: 19.933798 Å^3
• Polar Surface Area: 64.27 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 102 - 104°C
• Partition Coefficient: -0.593
• Hydrophobicity(logP): 0.372

Product Information

• Purity: 95%; 95+%