5-bromo-4-(furan-2-yl)pyrimidine

C8H5BrN2O — CID 90682855

IUPAC5-bromo-4-(furan-2-yl)pyrimidine
SMILESBrc1cncnc1-c1ccco1
InChIInChI=1S/C8H5BrN2O/c9-6-4-10-5-11-8(6)7-2-1-3-12-7/h1-5H
InChIKeyCJPOSITZOPXTCP-UHFFFAOYSA-N
MW225.05 g/mol
LogP2.50
Rot. Bonds1

About 5-bromo-4-(furan-2-yl)pyrimidine

5-bromo-4-(furan-2-yl)pyrimidine (PubChem CID 90682855) has the molecular formula C8H5BrN2O and a molecular weight of 225.05 g/mol. Its IUPAC name is 5-bromo-4-(furan-2-yl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-(furan-2-yl)pyrimidine
PubChem CID90682855
Molecular FormulaC8H5BrN2O
Molecular Weight225.05 g/mol
Exact Mass223.96
IUPAC Name5-bromo-4-(furan-2-yl)pyrimidine
SMILESBrc1cncnc1-c1ccco1
InChIInChI=1S/C8H5BrN2O/c9-6-4-10-5-11-8(6)7-2-1-3-12-7/h1-5H
InChIKeyCJPOSITZOPXTCP-UHFFFAOYSA-N
XLogP2.50
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.05
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(furan-2-yl)pyrimidine?
The IUPAC name of 5-bromo-4-(furan-2-yl)pyrimidine (CID 90682855) is 5-bromo-4-(furan-2-yl)pyrimidine.
What is the SMILES notation for 5-bromo-4-(furan-2-yl)pyrimidine?
The canonical SMILES for 5-bromo-4-(furan-2-yl)pyrimidine is Brc1cncnc1-c1ccco1.
What is the InChIKey of 5-bromo-4-(furan-2-yl)pyrimidine?
The InChIKey is CJPOSITZOPXTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrN2O/c9-6-4-10-5-11-8(6)7-2-1-3-12-7/h1-5H.
What are the key properties of 5-bromo-4-(furan-2-yl)pyrimidine?
5-bromo-4-(furan-2-yl)pyrimidine has a molecular weight of 225.05 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(furan-2-yl)pyrimidine is sourced from PubChem (CID 90682855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).