2-(dimethylamino)pyrimidin-5-ol

• ChemBase ID: 803634
• Molecular Formular: C6H9N3O
• Molecular Mass: 139.15516
• Monoisotopic Mass: 139.07456192
• SMILES: c1(cnc(nc1)N(C)C)O
• Canonical SMILES: CN(c1ncc(cn1)O)C
• InChI: InChI=1S/C6H9N3O/c1-9(2)6-7-3-5(10)4-8-6/h3-4,10H,1-2H3
• InChIKey: YEPCZOWQAYSIBD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(dimethylamino)pyrimidin-5-ol
• IUPAC Traditional name: 2-(dimethylamino)pyrimidin-5-ol
• Synonyms: 2-(DIMETHYLAMINO)PYRIMIDIN-5-OL

Database IDs

• CAS Number: 72491-71-5

CALCULATED PROPERTIES

• Acid pKa: 9.41923
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.53147143
• LogD (pH = 7.4): 0.52891785
• Log P: 0.533
• Molar Refractivity: 39.0778 cm^3
• Polarizability: 13.994063 Å^3
• Polar Surface Area: 49.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%