6-hydrazinyl-3-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione

• ChemBase ID: 37078
• Molecular Formular: C5H8N4O2
• Molecular Mass: 156.14262
• Monoisotopic Mass: 156.06472552
• SMILES: n1(c(=O)[nH]c(cc1=O)NN)C
• Canonical SMILES: NNc1cc(=O)n(c(=O)[nH]1)C
• InChI: InChI=1S/C5H8N4O2/c1-9-4(10)2-3(8-6)7-5(9)11/h2,8H,6H2,1H3,(H,7,11)
• InChIKey: FJTQFNMCDOXSTE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-hydrazinyl-3-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
• IUPAC Traditional name: 6-hydrazinyl-3-methyl-1H-pyrimidine-2,4-dione
• Synonyms: 6-Hydrazino-3-methylpyrimidine-2,4(1H,3H)-dione

Database IDs

• MDL Number: MFCD00457033
• PubChem SID: 161000385
• PubChem CID: 11378629

CALCULATED PROPERTIES

• Acid pKa: 10.279495
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -1.3362405
• LogD (pH = 7.4): -1.3182825
• Log P: -1.3174697
• Molar Refractivity: 58.7789 cm^3
• Polarizability: 14.08098 Å^3
• Polar Surface Area: 87.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false