2-(dimethylamino)-5,6-dimethylpyrimidin-4-ol

• ChemBase ID: 92057
• Molecular Formular: C8H13N3O
• Molecular Mass: 167.20832
• Monoisotopic Mass: 167.10586205
• SMILES: n1c(nc(c(c1O)C)C)N(C)C
• Canonical SMILES: CN(c1nc(C)c(c(n1)O)C)C
• InChI: InChI=1S/C8H13N3O/c1-5-6(2)9-8(11(3)4)10-7(5)12/h1-4H3,(H,9,10,12)
• InChIKey: MUEHLDAHWSCFAG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(dimethylamino)-5,6-dimethylpyrimidin-4-ol
• IUPAC Traditional name: 2-(dimethylamino)-5,6-dimethylpyrimidin-4-ol
• Synonyms: 4,5-Dimethyl-2-(N,N-dimethylamino)-6-hydroxypyrimidine 97%

Database IDs

• MDL Number: MFCD00276609
• PubChem SID: 162078755
• PubChem CID: 93225

CALCULATED PROPERTIES

• Polar Surface Area: 49.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• Acid pKa: 13.535001
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.772065
• LogD (pH = 7.4): 1.7722465
• Log P: 1.7722491
• Molar Refractivity: 49.024 cm^3
• Polarizability: 17.510107 Å^3

PROPERTIES

Safety Information

• Storage Warning: Irritant