1-bromo-5-chloroimidazo[1,5-c]pyrimidine

C6H3BrClN3 — CID 84696184

IUPAC1-bromo-5-chloroimidazo[1,5-c]pyrimidine
SMILESClc1nccc2c(Br)ncn12
InChIInChI=1S/C6H3BrClN3/c7-5-4-1-2-9-6(8)11(4)3-10-5/h1-3H
InChIKeyCKSSBJFCLCNACG-UHFFFAOYSA-N
MW232.47 g/mol
LogP2.15
Rot. Bonds

About 1-bromo-5-chloroimidazo[1,5-c]pyrimidine

1-bromo-5-chloroimidazo[1,5-c]pyrimidine (PubChem CID 84696184) has the molecular formula C6H3BrClN3 and a molecular weight of 232.47 g/mol. Its IUPAC name is 1-bromo-5-chloroimidazo[1,5-c]pyrimidine.

Molecular Properties

Compound Name1-bromo-5-chloroimidazo[1,5-c]pyrimidine
PubChem CID84696184
Molecular FormulaC6H3BrClN3
Molecular Weight232.47 g/mol
Exact Mass230.92
IUPAC Name1-bromo-5-chloroimidazo[1,5-c]pyrimidine
SMILESClc1nccc2c(Br)ncn12
InChIInChI=1S/C6H3BrClN3/c7-5-4-1-2-9-6(8)11(4)3-10-5/h1-3H
InChIKeyCKSSBJFCLCNACG-UHFFFAOYSA-N
XLogP2.15
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.47
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-5-chloroimidazo[1,5-c]pyrimidine?
The IUPAC name of 1-bromo-5-chloroimidazo[1,5-c]pyrimidine (CID 84696184) is 1-bromo-5-chloroimidazo[1,5-c]pyrimidine.
What is the SMILES notation for 1-bromo-5-chloroimidazo[1,5-c]pyrimidine?
The canonical SMILES for 1-bromo-5-chloroimidazo[1,5-c]pyrimidine is Clc1nccc2c(Br)ncn12.
What is the InChIKey of 1-bromo-5-chloroimidazo[1,5-c]pyrimidine?
The InChIKey is CKSSBJFCLCNACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrClN3/c7-5-4-1-2-9-6(8)11(4)3-10-5/h1-3H.
What are the key properties of 1-bromo-5-chloroimidazo[1,5-c]pyrimidine?
1-bromo-5-chloroimidazo[1,5-c]pyrimidine has a molecular weight of 232.47 g/mol, XLogP of 2.15, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-5-chloroimidazo[1,5-c]pyrimidine is sourced from PubChem (CID 84696184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).