4-bromo-6-(5-bromofuran-2-yl)pyrimidine

C8H4Br2N2O — CID 121205669

IUPAC4-bromo-6-(5-bromofuran-2-yl)pyrimidine
SMILESBrc1cc(-c2ccc(Br)o2)ncn1
InChIInChI=1S/C8H4Br2N2O/c9-7-3-5(11-4-12-7)6-1-2-8(10)13-6/h1-4H
InChIKeyRLDGPOHZLSDHEH-UHFFFAOYSA-N
MW303.94 g/mol
LogP3.26
Rot. Bonds1

About 4-bromo-6-(5-bromofuran-2-yl)pyrimidine

4-bromo-6-(5-bromofuran-2-yl)pyrimidine (PubChem CID 121205669) has the molecular formula C8H4Br2N2O and a molecular weight of 303.94 g/mol. Its IUPAC name is 4-bromo-6-(5-bromofuran-2-yl)pyrimidine.

Molecular Properties

Compound Name4-bromo-6-(5-bromofuran-2-yl)pyrimidine
PubChem CID121205669
Molecular FormulaC8H4Br2N2O
Molecular Weight303.94 g/mol
Exact Mass301.87
IUPAC Name4-bromo-6-(5-bromofuran-2-yl)pyrimidine
SMILESBrc1cc(-c2ccc(Br)o2)ncn1
InChIInChI=1S/C8H4Br2N2O/c9-7-3-5(11-4-12-7)6-1-2-8(10)13-6/h1-4H
InChIKeyRLDGPOHZLSDHEH-UHFFFAOYSA-N
XLogP3.26
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.94
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-(5-bromofuran-2-yl)pyrimidine?
The IUPAC name of 4-bromo-6-(5-bromofuran-2-yl)pyrimidine (CID 121205669) is 4-bromo-6-(5-bromofuran-2-yl)pyrimidine.
What is the SMILES notation for 4-bromo-6-(5-bromofuran-2-yl)pyrimidine?
The canonical SMILES for 4-bromo-6-(5-bromofuran-2-yl)pyrimidine is Brc1cc(-c2ccc(Br)o2)ncn1.
What is the InChIKey of 4-bromo-6-(5-bromofuran-2-yl)pyrimidine?
The InChIKey is RLDGPOHZLSDHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Br2N2O/c9-7-3-5(11-4-12-7)6-1-2-8(10)13-6/h1-4H.
What are the key properties of 4-bromo-6-(5-bromofuran-2-yl)pyrimidine?
4-bromo-6-(5-bromofuran-2-yl)pyrimidine has a molecular weight of 303.94 g/mol, XLogP of 3.26, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-(5-bromofuran-2-yl)pyrimidine is sourced from PubChem (CID 121205669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).