[2-amino-4-methoxy-6-(morpholin-4-yl)pyrimidin-5-yl]methanol

• ChemBase ID: 253800
• Molecular Formular: C10H16N4O3
• Molecular Mass: 240.25904
• Monoisotopic Mass: 240.12224039
• SMILES: c1(nc(nc(c1CO)OC)N)N1CCOCC1
• Canonical SMILES: OCc1c(OC)nc(nc1N1CCOCC1)N
• InChI: InChI=1S/C10H16N4O3/c1-16-9-7(6-15)8(12-10(11)13-9)14-2-4-17-5-3-14/h15H,2-6H2,1H3,(H2,11,12,13)
• InChIKey: UIVIXABTNWYYHP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-amino-4-methoxy-6-(morpholin-4-yl)pyrimidin-5-yl]methanol
• IUPAC Traditional name: [2-amino-4-methoxy-6-(morpholin-4-yl)pyrimidin-5-yl]methanol
• Synonyms: (2-amino-4-methoxy-6-morpholin-4-ylpyrimidin-5-yl)methanol

Database IDs

• MDL Number: MFCD09396732
• PubChem SID: 164309710
• PubChem CID: 17480854

CALCULATED PROPERTIES

• Acid pKa: 14.172278
• H Acceptors: 7
• H Donor: 2
• LogD (pH = 5.5): -0.928319
• LogD (pH = 7.4): 0.0043129926
• Log P: 0.053032957
• Molar Refractivity: 64.7779 cm^3
• Polarizability: 23.222805 Å^3
• Polar Surface Area: 93.73 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -2.51

Product Information

• Purity: 95%