2-aminopyrimidin-5-ol

• ChemBase ID: 53153
• Molecular Formular: C4H5N3O
• Molecular Mass: 111.102
• Monoisotopic Mass: 111.0432618
• SMILES: c1(cnc(nc1)N)O
• Canonical SMILES: Oc1cnc(nc1)N
• InChI: InChI=1S/C4H5N3O/c5-4-6-1-3(8)2-7-4/h1-2,8H,(H2,5,6,7)
• InChIKey: NVYMOVCPYONOSF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-aminopyrimidin-5-ol
• IUPAC Traditional name: 2-aminopyrimidin-5-ol
• Synonyms: 2-Aminopyrimidin-5-ol; 2-Aminopyrimidin-5-ol; 5-Hydroxypyrimidin-2-amine; 2-Amino-5-hydroxypyrimidine; 2-Amino-pyrimidin-5-ol; 2-Amino-5-pyrimidinol

Database IDs

• CAS Number: 143489-45-6
• MDL Number: MFCD08062411
• PubChem SID: 162057916
• PubChem CID: 17750388

CALCULATED PROPERTIES

• Acid pKa: 9.489307
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.40706676
• LogD (pH = 7.4): -0.40747046
• Log P: -0.4039698
• Molar Refractivity: 29.3496 cm^3
• Polarizability: 10.343155 Å^3
• Polar Surface Area: 72.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: DMSO; Methanol
• Apperance: Yellow to Brown Solid
• Melting Point: >170°C (dec.); 198.6-199°C

Safety Information

• Storage Condition: Refrigerator
• Storage Warning: IRRITANT; Irritant/Keep Cold
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%; 97%