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

• ChemBase ID: 42943
• Molecular Formular: C6H9N3O
• Molecular Mass: 139.15516
• Monoisotopic Mass: 139.07456192
• SMILES: n1c(nc(cc1NC)O)C
• Canonical SMILES: CNc1cc(O)nc(n1)C
• InChI: InChI=1S/C6H9N3O/c1-4-8-5(7-2)3-6(10)9-4/h3H,1-2H3,(H2,7,8,9,10)
• InChIKey: SYONBPZOUULYEZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-6-(methylamino)pyrimidin-4-ol
• IUPAC Traditional name: 2-methyl-6-(methylamino)pyrimidin-4-ol
• Synonyms: 2-Methyl-6-(methylamino)-4-pyrimidinol

Database IDs

• MDL Number: MFCD11840972
• PubChem SID: 162047706
• PubChem CID: 586886

CALCULATED PROPERTIES

• Log P: 1.0846351
• Molar Refractivity: 40.1484 cm^3
• Polarizability: 13.916643 Å^3
• Polar Surface Area: 58.04 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• Acid pKa: 12.388922
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.0842255
• LogD (pH = 7.4): 1.0846256

PROPERTIES

Physical Property

• Melting Point: 288 - 291 °C; 288-291°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%