6-chloroimidazo[1,2-a]pyrimidine

• ChemBase ID: 90728
• Molecular Formular: C6H4ClN3
• Molecular Mass: 153.56906
• Monoisotopic Mass: 153.00937482
• SMILES: n12c(ncc1)ncc(c2)Cl
• Canonical SMILES: Clc1cnc2n(c1)ccn2
• InChI: InChI=1S/C6H4ClN3/c7-5-3-9-6-8-1-2-10(6)4-5/h1-4H
• InChIKey: RFCCGIKVKLWJRA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloroimidazo[1,2-a]pyrimidine
• IUPAC Traditional name: 6-chloroimidazo[1,2-a]pyrimidine
• Synonyms: 6-Chloroimidazo[1,2-a]pyrimidine

Database IDs

• CAS Number: 944906-56-3
• PubChem SID: 162077468
• PubChem CID: 20145018

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.40582252
• LogD (pH = 7.4): 0.4112696
• Log P: 0.41133958
• Molar Refractivity: 39.5944 cm^3
• Polarizability: 14.342952 Å^3
• Polar Surface Area: 30.19 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant/Keep Cold/Store under Argon