5-bromo-2-(1H-imidazol-2-ylsulfanyl)pyrimidine

C7H5BrN4S — CID 71995938

IUPAC5-bromo-2-(1H-imidazol-2-ylsulfanyl)pyrimidine
SMILESBrc1cnc(Sc2ncc[nH]2)nc1
InChIInChI=1S/C7H5BrN4S/c8-5-3-11-7(12-4-5)13-6-9-1-2-10-6/h1-4H,(H,9,10)
InChIKeyXSFPETMGGITIAH-UHFFFAOYSA-N
MW257.12 g/mol
LogP2.11
Rot. Bonds2

About 5-bromo-2-(1H-imidazol-2-ylsulfanyl)pyrimidine

5-bromo-2-(1H-imidazol-2-ylsulfanyl)pyrimidine (PubChem CID 71995938) has the molecular formula C7H5BrN4S and a molecular weight of 257.12 g/mol. Its IUPAC name is 5-bromo-2-(1H-imidazol-2-ylsulfanyl)pyrimidine.

Molecular Properties

Compound Name5-bromo-2-(1H-imidazol-2-ylsulfanyl)pyrimidine
PubChem CID71995938
Molecular FormulaC7H5BrN4S
Molecular Weight257.12 g/mol
Exact Mass255.94
IUPAC Name5-bromo-2-(1H-imidazol-2-ylsulfanyl)pyrimidine
SMILESBrc1cnc(Sc2ncc[nH]2)nc1
InChIInChI=1S/C7H5BrN4S/c8-5-3-11-7(12-4-5)13-6-9-1-2-10-6/h1-4H,(H,9,10)
InChIKeyXSFPETMGGITIAH-UHFFFAOYSA-N
XLogP2.11
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.12
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(1H-imidazol-2-ylsulfanyl)pyrimidine?
The IUPAC name of 5-bromo-2-(1H-imidazol-2-ylsulfanyl)pyrimidine (CID 71995938) is 5-bromo-2-(1H-imidazol-2-ylsulfanyl)pyrimidine.
What is the SMILES notation for 5-bromo-2-(1H-imidazol-2-ylsulfanyl)pyrimidine?
The canonical SMILES for 5-bromo-2-(1H-imidazol-2-ylsulfanyl)pyrimidine is Brc1cnc(Sc2ncc[nH]2)nc1.
What is the InChIKey of 5-bromo-2-(1H-imidazol-2-ylsulfanyl)pyrimidine?
The InChIKey is XSFPETMGGITIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrN4S/c8-5-3-11-7(12-4-5)13-6-9-1-2-10-6/h1-4H,(H,9,10).
What are the key properties of 5-bromo-2-(1H-imidazol-2-ylsulfanyl)pyrimidine?
5-bromo-2-(1H-imidazol-2-ylsulfanyl)pyrimidine has a molecular weight of 257.12 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(1H-imidazol-2-ylsulfanyl)pyrimidine is sourced from PubChem (CID 71995938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).