6-(4-bromophenyl)furo[2,3-d]pyrimidine

C12H7BrN2O — CID 69398994

IUPAC6-(4-bromophenyl)furo[2,3-d]pyrimidine
SMILESBrc1ccc(-c2cc3cncnc3o2)cc1
InChIInChI=1S/C12H7BrN2O/c13-10-3-1-8(2-4-10)11-5-9-6-14-7-15-12(9)16-11/h1-7H
InChIKeyIWFOXDVPYCAULC-UHFFFAOYSA-N
MW275.11 g/mol
LogP3.65
Rot. Bonds1

About 6-(4-bromophenyl)furo[2,3-d]pyrimidine

6-(4-bromophenyl)furo[2,3-d]pyrimidine (PubChem CID 69398994) has the molecular formula C12H7BrN2O and a molecular weight of 275.11 g/mol. Its IUPAC name is 6-(4-bromophenyl)furo[2,3-d]pyrimidine.

Molecular Properties

Compound Name6-(4-bromophenyl)furo[2,3-d]pyrimidine
PubChem CID69398994
Molecular FormulaC12H7BrN2O
Molecular Weight275.11 g/mol
Exact Mass273.97
IUPAC Name6-(4-bromophenyl)furo[2,3-d]pyrimidine
SMILESBrc1ccc(-c2cc3cncnc3o2)cc1
InChIInChI=1S/C12H7BrN2O/c13-10-3-1-8(2-4-10)11-5-9-6-14-7-15-12(9)16-11/h1-7H
InChIKeyIWFOXDVPYCAULC-UHFFFAOYSA-N
XLogP3.65
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.11
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenyl)furo[2,3-d]pyrimidine?
The IUPAC name of 6-(4-bromophenyl)furo[2,3-d]pyrimidine (CID 69398994) is 6-(4-bromophenyl)furo[2,3-d]pyrimidine.
What is the SMILES notation for 6-(4-bromophenyl)furo[2,3-d]pyrimidine?
The canonical SMILES for 6-(4-bromophenyl)furo[2,3-d]pyrimidine is Brc1ccc(-c2cc3cncnc3o2)cc1.
What is the InChIKey of 6-(4-bromophenyl)furo[2,3-d]pyrimidine?
The InChIKey is IWFOXDVPYCAULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrN2O/c13-10-3-1-8(2-4-10)11-5-9-6-14-7-15-12(9)16-11/h1-7H.
What are the key properties of 6-(4-bromophenyl)furo[2,3-d]pyrimidine?
6-(4-bromophenyl)furo[2,3-d]pyrimidine has a molecular weight of 275.11 g/mol, XLogP of 3.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromophenyl)furo[2,3-d]pyrimidine is sourced from PubChem (CID 69398994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).