2-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)acetohydrazide

• ChemBase ID: 284973
• Molecular Formular: C6H8N4O3
• Molecular Mass: 184.15272
• Monoisotopic Mass: 184.05964014
• SMILES: [nH]1c(=O)[nH]c(cc1=O)CC(=O)NN
• Canonical SMILES: NNC(=O)Cc1cc(=O)[nH]c(=O)[nH]1
• InChI: InChI=1S/C6H8N4O3/c7-10-5(12)2-3-1-4(11)9-6(13)8-3/h1H,2,7H2,(H,10,12)(H2,8,9,11,13)
• InChIKey: YNNSCUVYSHFQKF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)acetohydrazide
• IUPAC Traditional name: 2-(2,6-dioxo-1,3-dihydropyrimidin-4-yl)acetohydrazide
• Synonyms: 2-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)acetohydrazide

Database IDs

• MDL Number: MFCD11643799
• PubChem SID: 180670504
• PubChem CID: 13537764

CALCULATED PROPERTIES

• Acid pKa: 9.676783
• H Acceptors: 4
• H Donor: 4
• LogD (pH = 5.5): -2.4002435
• LogD (pH = 7.4): -2.4007344
• Log P: -2.3984485
• Molar Refractivity: 44.1301 cm^3
• Polarizability: 16.062248 Å^3
• Polar Surface Area: 113.32 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -3.054

Product Information

• Purity: 95%