6-methyl-2-(methylamino)pyrimidin-4-ol

• ChemBase ID: 806401
• Molecular Formular: C6H9N3O
• Molecular Mass: 139.15516
• Monoisotopic Mass: 139.07456192
• SMILES: c1c(nc(nc1C)NC)O
• Canonical SMILES: CNc1nc(C)cc(n1)O
• InChI: InChI=1S/C6H9N3O/c1-4-3-5(10)9-6(7-2)8-4/h3H,1-2H3,(H2,7,8,9,10)
• InChIKey: YYSMFPJFXXCYGJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methyl-2-(methylamino)pyrimidin-4-ol
• IUPAC Traditional name: 6-methyl-2-(methylamino)pyrimidin-4-ol
• Synonyms: 6-METHYL-2-(METHYLAMINO)PYRIMIDIN-4-OL

Database IDs

• CAS Number: 39247-89-7

CALCULATED PROPERTIES

• Acid pKa: 12.456585
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.6231295
• LogD (pH = 7.4): 0.62355274
• Log P: 0.623562
• Molar Refractivity: 39.748 cm^3
• Polarizability: 13.919278 Å^3
• Polar Surface Area: 58.04 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%