5-hydroxy-1,2,3,4-tetrahydropyrimidine-2,4-dione

• ChemBase ID: 310006
• Molecular Formular: C4H4N2O3
• Molecular Mass: 128.08616
• Monoisotopic Mass: 128.022192
• SMILES: [nH]1c(=O)c(c[nH]c1=O)O
• Canonical SMILES: Oc1c[nH]c(=O)[nH]c1=O
• InChI: InChI=1S/C4H4N2O3/c7-2-1-5-4(9)6-3(2)8/h1,7H,(H2,5,6,8,9)
• InChIKey: OFJNVANOCZHTMW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-hydroxy-1,2,3,4-tetrahydropyrimidine-2,4-dione
• IUPAC Traditional name: 5-hydroxyuracil
• Synonyms: 5-hydroxy-2,4(1H,3H)-pyrimidinedione

Database IDs

• CAS Number: 20636-41-3
• MDL Number: MFCD11615701

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -1.1023301
• LogD (pH = 7.4): -1.1188635
• Log P: -1.1021154
• Molar Refractivity: 27.9367 cm^3
• Polarizability: 10.384733 Å^3
• Polar Surface Area: 78.43 Å^2