2-amino-5-chloro-6-methylpyrimidin-4-ol

• ChemBase ID: 804337
• Molecular Formular: C5H6ClN3O
• Molecular Mass: 159.57364
• Monoisotopic Mass: 159.01993951
• SMILES: c1(c(nc(nc1C)N)O)Cl
• Canonical SMILES: Nc1nc(C)c(c(n1)O)Cl
• InChI: InChI=1S/C5H6ClN3O/c1-2-3(6)4(10)9-5(7)8-2/h1H3,(H3,7,8,9,10)
• InChIKey: ONGTVDNWEWISGD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-5-chloro-6-methylpyrimidin-4-ol
• IUPAC Traditional name: 2-amino-5-chloro-6-methylpyrimidin-4-ol
• Synonyms: 2-AMINO-5-CHLORO-6-METHYLPYRIMIDIN-4-OL

Database IDs

• CAS Number: 7749-63-5

CALCULATED PROPERTIES

• Acid pKa: 11.075135
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.9257779
• LogD (pH = 7.4): 0.9258105
• Log P: 0.9259026
• Molar Refractivity: 39.0594 cm^3
• Polarizability: 14.08111 Å^3
• Polar Surface Area: 72.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%