pyrimidine-2,4-diol

• ChemBase ID: 105849
• Molecular Formular: C4H4N2O2
• Molecular Mass: 112.08676
• Monoisotopic Mass: 112.02727738
• SMILES: Oc1nc(O)ncc1
• Canonical SMILES: Oc1ccnc(n1)O
• InChI: InChI=1S/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)
• InChIKey: ISAKRJDGNUQOIC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pyrimidine-2,4-diol
• IUPAC Traditional name: 2,4-dihydroxypyrimidine
• Synonyms: 2,4-DIHYDROXYPYRIMIDINE; 2,4-Dihydroxypyrimidine; URACIL

Database IDs

• CAS Number: 66-22-8
• EC Number: 200-621-9
• PubChem SID: 162089004
• PubChem CID: 1174

CALCULATED PROPERTIES

• Acid pKa: 12.008505
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.7158482
• LogD (pH = 7.4): 0.71584564
• Log P: 0.7158484
• Molar Refractivity: 26.9436 cm^3
• Polarizability: 9.858409 Å^3
• Polar Surface Area: 66.24 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 335°C

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: YQ8650000
• European Hazard Symbols: Harmful (Xn)
• Risk Statements: R:22
• Safety Statements: S:36/37/39

DETAILS

MP Biomedicals - 05210036

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02194761

Cell Culture Reagent
Crystalline
This material is high purity, with white crystals.