2-hydrazinyl-1,4,5,6-tetrahydropyrimidine hydrobromide

• ChemBase ID: 81436
• Molecular Formular: C4H11BrN4
• Molecular Mass: 195.06094
• Monoisotopic Mass: 194.01670837
• SMILES: N1=C(NCCC1)NN.Br
• Canonical SMILES: NNC1=NCCCN1.Br
• InChI: InChI=1S/C4H10N4.BrH/c5-8-4-6-2-1-3-7-4;/h1-3,5H2,(H2,6,7,8);1H
• InChIKey: GCCPFVFSVPYXQD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydrazinyl-1,4,5,6-tetrahydropyrimidine hydrobromide
• IUPAC Traditional name: 2-hydrazinyl-1,4,5,6-tetrahydropyrimidine hydrobromide
• Synonyms: 2-hydrazino-1,4,5,6-tetrahydropyrimidine hydrobromide

Database IDs

• CAS Number: 197234-18-7
• MDL Number: MFCD00053056
• PubChem SID: 162068555
• PubChem CID: 2777326

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -3.5331843
• LogD (pH = 7.4): -3.4893456
• Log P: -1.0787611
• Molar Refractivity: 42.9885 cm^3
• Polarizability: 11.813872 Å^3
• Polar Surface Area: 62.44 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true