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

• ChemBase ID: 101509
• Molecular Formular: C9H13N3O2
• Molecular Mass: 195.21842
• Monoisotopic Mass: 195.10077667
• SMILES: c1(ncc(cn1)CO)N1CCOCC1
• Canonical SMILES: OCc1cnc(nc1)N1CCOCC1
• InChI: InChI=1S/C9H13N3O2/c13-7-8-5-10-9(11-6-8)12-1-3-14-4-2-12/h5-6,13H,1-4,7H2
• InChIKey: KYYQOJQTQOKGPQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(morpholin-4-yl)pyrimidin-5-yl]methanol
• IUPAC Traditional name: [2-(morpholin-4-yl)pyrimidin-5-yl]methanol
• Synonyms: (2-morpholinopyrimidin-5-yl)methanol

Database IDs

• CAS Number: 937796-13-9
• MDL Number: MFCD09966160
• PubChem SID: 162087581
• PubChem CID: 42556095

CALCULATED PROPERTIES

• Acid pKa: 14.531712
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.1499655
• LogD (pH = 7.4): -0.1492935
• Log P: -0.14928488
• Molar Refractivity: 52.9873 cm^3
• Polarizability: 19.508924 Å^3
• Polar Surface Area: 58.48 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%