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

• ChemBase ID: 60635
• Molecular Formular: C6H10N4O2
• Molecular Mass: 170.1692
• Monoisotopic Mass: 170.08037558
• SMILES: c1(=O)n(c(cc(=O)n1C)NN)C
• Canonical SMILES: NNc1cc(=O)n(c(=O)n1C)C
• InChI: InChI=1S/C6H10N4O2/c1-9-4(8-7)3-5(11)10(2)6(9)12/h3,8H,7H2,1-2H3
• InChIKey: HZJOVZZMDMNJJT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-hydrazinyl-1,3-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
• IUPAC Traditional name: 6-hydrazinyl-1,3-dimethylpyrimidine-2,4-dione
• Synonyms: 6-hydrazino-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione; 6-Hydrazino-1,3-dimethylpyrimidine-2,4(1H,3H)-dione

Database IDs

• CAS Number: 40012-14-4
• MDL Number: MFCD00091860
• PubChem SID: 162026376
• PubChem CID: 97642

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.1123338
• LogD (pH = 7.4): -1.094032
• Log P: -1.0937936
• Molar Refractivity: 63.6756 cm^3
• Polarizability: 15.896167 Å^3
• Polar Surface Area: 78.67 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false