5H,6H,7H,8H-imidazo[1,2-a]pyrimidine hydrochloride

• ChemBase ID: 289329
• Molecular Formular: C6H10ClN3
• Molecular Mass: 159.6167
• Monoisotopic Mass: 159.05632502
• SMILES: Cl.c12nccn1CCCN2
• Canonical SMILES: C1CCn2c(N1)ncc2.Cl
• InChI: InChI=1S/C6H9N3.ClH/c1-2-7-6-8-3-5-9(6)4-1;/h3,5H,1-2,4H2,(H,7,8);1H
• InChIKey: KHUHZFZYBGHUME-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5H,6H,7H,8H-imidazo[1,2-a]pyrimidine hydrochloride
• IUPAC Traditional name: 5H,6H,7H,8H-imidazo[1,2-a]pyrimidine hydrochloride
• Synonyms: 5,6,7,8-Tetrahydroimidazo[1,2-a]pyrimidine hydrochloride

Database IDs

• CAS Number: 1209264-64-1
• PubChem SID: 180674860
• PubChem CID: 45789765

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.9361678
• LogD (pH = 7.4): -0.45679203
• Log P: 0.123914786
• Molar Refractivity: 36.473 cm^3
• Polarizability: 13.000578 Å^3
• Polar Surface Area: 29.85 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%