2-bromo-5-(2H-tetrazol-5-yl)pyrimidine

C5H3BrN6 — CID 87892456

IUPAC2-bromo-5-(2H-tetrazol-5-yl)pyrimidine
SMILESBrc1ncc(-c2nn[nH]n2)cn1
InChIInChI=1S/C5H3BrN6/c6-5-7-1-3(2-8-5)4-9-11-12-10-4/h1-2H,(H,9,10,11,12)
InChIKeyQPRPXQXYCQLVBF-UHFFFAOYSA-N
MW227.03 g/mol
LogP0.42
Rot. Bonds1

About 2-bromo-5-(2H-tetrazol-5-yl)pyrimidine

2-bromo-5-(2H-tetrazol-5-yl)pyrimidine (PubChem CID 87892456) has the molecular formula C5H3BrN6 and a molecular weight of 227.03 g/mol. Its IUPAC name is 2-bromo-5-(2H-tetrazol-5-yl)pyrimidine.

Molecular Properties

Compound Name2-bromo-5-(2H-tetrazol-5-yl)pyrimidine
PubChem CID87892456
Molecular FormulaC5H3BrN6
Molecular Weight227.03 g/mol
Exact Mass225.96
IUPAC Name2-bromo-5-(2H-tetrazol-5-yl)pyrimidine
SMILESBrc1ncc(-c2nn[nH]n2)cn1
InChIInChI=1S/C5H3BrN6/c6-5-7-1-3(2-8-5)4-9-11-12-10-4/h1-2H,(H,9,10,11,12)
InChIKeyQPRPXQXYCQLVBF-UHFFFAOYSA-N
XLogP0.42
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.03
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(2H-tetrazol-5-yl)pyrimidine?
The IUPAC name of 2-bromo-5-(2H-tetrazol-5-yl)pyrimidine (CID 87892456) is 2-bromo-5-(2H-tetrazol-5-yl)pyrimidine.
What is the SMILES notation for 2-bromo-5-(2H-tetrazol-5-yl)pyrimidine?
The canonical SMILES for 2-bromo-5-(2H-tetrazol-5-yl)pyrimidine is Brc1ncc(-c2nn[nH]n2)cn1.
What is the InChIKey of 2-bromo-5-(2H-tetrazol-5-yl)pyrimidine?
The InChIKey is QPRPXQXYCQLVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3BrN6/c6-5-7-1-3(2-8-5)4-9-11-12-10-4/h1-2H,(H,9,10,11,12).
What are the key properties of 2-bromo-5-(2H-tetrazol-5-yl)pyrimidine?
2-bromo-5-(2H-tetrazol-5-yl)pyrimidine has a molecular weight of 227.03 g/mol, XLogP of 0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(2H-tetrazol-5-yl)pyrimidine is sourced from PubChem (CID 87892456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).