6-(dimethylamino)-2-methylpyrimidin-4-ol

• ChemBase ID: 42949
• Molecular Formular: C7H11N3O
• Molecular Mass: 153.18174
• Monoisotopic Mass: 153.09021199
• SMILES: n1c(cc(nc1C)O)N(C)C
• Canonical SMILES: Oc1cc(nc(n1)C)N(C)C
• InChI: InChI=1S/C7H11N3O/c1-5-8-6(10(2)3)4-7(11)9-5/h4H,1-3H3,(H,8,9,11)
• InChIKey: JCVFYJPZRHEZHB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(dimethylamino)-2-methylpyrimidin-4-ol
• IUPAC Traditional name: 6-(dimethylamino)-2-methylpyrimidin-4-ol
• Synonyms: 6-(Dimethylamino)-2-methyl-4-pyrimidinol

Database IDs

• MDL Number: MFCD11840974
• PubChem SID: 162047712
• PubChem CID: 20496609

CALCULATED PROPERTIES

• Acid pKa: 12.369164
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.730106
• LogD (pH = 7.4): 1.730418
• Log P: 1.7304265
• Molar Refractivity: 44.3832 cm^3
• Polarizability: 15.747419 Å^3
• Polar Surface Area: 49.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 226 - 228 °C; 226-228°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%