8-bromo-5-chloroimidazo[1,2-c]pyrimidine;8-bromo-5-methylimidazo[1,2-c]pyrimidine;bis(8-iodo-5-methylimidazo[1,2-c]pyrimidine)

C27H21Br2ClI2N12 — CID 161249095

About 8-bromo-5-chloroimidazo[1,2-c]pyrimidine;8-bromo-5-methylimidazo[1,2-c]pyrimidine;bis(8-iodo-5-methylimidazo[1,2-c]pyrimidine)

8-bromo-5-chloroimidazo[1,2-c]pyrimidine;8-bromo-5-methylimidazo[1,2-c]pyrimidine;bis(8-iodo-5-methylimidazo[1,2-c]pyrimidine) (PubChem CID 161249095) has the molecular formula C27H21Br2ClI2N12 and a molecular weight of 962.62 g/mol. Its IUPAC name is 8-bromo-5-chloroimidazo[1,2-c]pyrimidine;8-bromo-5-methylimidazo[1,2-c]pyrimidine;bis(8-iodo-5-methylimidazo[1,2-c]pyrimidine).

Molecular Properties

• Compound Name: 8-bromo-5-chloroimidazo[1,2-c]pyrimidine;8-bromo-5-methylimidazo[1,2-c]pyrimidine;bis(8-iodo-5-methylimidazo[1,2-c]pyrimidine)
• PubChem CID: 161249095
• Molecular Formula: C27H21Br2ClI2N12
• Molecular Weight: 962.62 g/mol
• Exact Mass: 959.82
• IUPAC Name: 8-bromo-5-chloroimidazo[1,2-c]pyrimidine;8-bromo-5-methylimidazo[1,2-c]pyrimidine;bis(8-iodo-5-methylimidazo[1,2-c]pyrimidine)
• SMILES: Cc1ncc(Br)c2nccn12.Cc1ncc(I)c2nccn12.Cc1ncc(I)c2nccn12.Clc1ncc(Br)c2nccn12
• InChI: InChI=1S/C7H6BrN3.2C7H6IN3.C6H3BrClN3/c3*1-5-10-4-6(8)7-9-2-3-11(5)7;7-4-3-10-6(8)11-2-1-9-5(4)11/h3*2-4H,1H3;1-3H
• InChIKey: VBAKOPWCQPPHIR-UHFFFAOYSA-N
• XLogP: 7.23
• TPSA: 120.76 Ų
• H-Bond Acceptors: 12
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	962.62
LogP ≤ 5	7.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-bromo-5-chloroimidazo[1,2-c]pyrimidine;8-bromo-5-methylimidazo[1,2-c]pyrimidine;bis(8-iodo-5-methylimidazo[1,2-c]pyrimidine)?

The IUPAC name of 8-bromo-5-chloroimidazo[1,2-c]pyrimidine;8-bromo-5-methylimidazo[1,2-c]pyrimidine;bis(8-iodo-5-methylimidazo[1,2-c]pyrimidine) (CID 161249095) is 8-bromo-5-chloroimidazo[1,2-c]pyrimidine;8-bromo-5-methylimidazo[1,2-c]pyrimidine;bis(8-iodo-5-methylimidazo[1,2-c]pyrimidine).

What is the SMILES notation for 8-bromo-5-chloroimidazo[1,2-c]pyrimidine;8-bromo-5-methylimidazo[1,2-c]pyrimidine;bis(8-iodo-5-methylimidazo[1,2-c]pyrimidine)?

The canonical SMILES for 8-bromo-5-chloroimidazo[1,2-c]pyrimidine;8-bromo-5-methylimidazo[1,2-c]pyrimidine;bis(8-iodo-5-methylimidazo[1,2-c]pyrimidine) is Cc1ncc(Br)c2nccn12.Cc1ncc(I)c2nccn12.Cc1ncc(I)c2nccn12.Clc1ncc(Br)c2nccn12.

What is the InChIKey of 8-bromo-5-chloroimidazo[1,2-c]pyrimidine;8-bromo-5-methylimidazo[1,2-c]pyrimidine;bis(8-iodo-5-methylimidazo[1,2-c]pyrimidine)?

The InChIKey is VBAKOPWCQPPHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrN3.2C7H6IN3.C6H3BrClN3/c3*1-5-10-4-6(8)7-9-2-3-11(5)7;7-4-3-10-6(8)11-2-1-9-5(4)11/h3*2-4H,1H3;1-3H.

What are the key properties of 8-bromo-5-chloroimidazo[1,2-c]pyrimidine;8-bromo-5-methylimidazo[1,2-c]pyrimidine;bis(8-iodo-5-methylimidazo[1,2-c]pyrimidine)?

8-bromo-5-chloroimidazo[1,2-c]pyrimidine;8-bromo-5-methylimidazo[1,2-c]pyrimidine;bis(8-iodo-5-methylimidazo[1,2-c]pyrimidine) has a molecular weight of 962.62 g/mol, XLogP of 7.23, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 8-bromo-5-chloroimidazo[1,2-c]pyrimidine;8-bromo-5-methylimidazo[1,2-c]pyrimidine;bis(8-iodo-5-methylimidazo[1,2-c]pyrimidine) is sourced from PubChem (CID 161249095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).