5-hydroxy-1,3-diazinan-2-one

• ChemBase ID: 309790
• Molecular Formular: C4H8N2O2
• Molecular Mass: 116.11852
• Monoisotopic Mass: 116.05857751
• SMILES: C1(=O)NCC(CN1)O
• Canonical SMILES: OC1CNC(=O)NC1
• InChI: InChI=1S/C4H8N2O2/c7-3-1-5-4(8)6-2-3/h3,7H,1-2H2,(H2,5,6,8)
• InChIKey: PZSCGIVZIUKDAJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-hydroxy-1,3-diazinan-2-one
• IUPAC Traditional name: 5-hydroxy-1,3-diazinan-2-one
• Synonyms: 5-hydroxytetrahydro-2(1H)-pyrimidinone

Database IDs

• CAS Number: 1852-18-2
• MDL Number: MFCD03931656

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 3
• LogD (pH = 5.5): -1.7183416
• LogD (pH = 7.4): -1.718342
• Log P: -1.7183416
• Molar Refractivity: 26.9295 cm^3
• Polarizability: 10.451741 Å^3
• Polar Surface Area: 61.36 Å^2