4-bromo-2-ethyl-6-(7-fluoro-1-benzofuran-2-yl)pyrimidine

C14H10BrFN2O — CID 114734330

IUPAC4-bromo-2-ethyl-6-(7-fluoro-1-benzofuran-2-yl)pyrimidine
SMILESCCc1nc(Br)cc(-c2cc3cccc(F)c3o2)n1
InChIInChI=1S/C14H10BrFN2O/c1-2-13-17-10(7-12(15)18-13)11-6-8-4-3-5-9(16)14(8)19-11/h3-7H,2H2,1H3
InChIKeyPXSRARXNENWVLY-UHFFFAOYSA-N
MW321.15 g/mol
LogP4.35
Rot. Bonds2

About 4-bromo-2-ethyl-6-(7-fluoro-1-benzofuran-2-yl)pyrimidine

4-bromo-2-ethyl-6-(7-fluoro-1-benzofuran-2-yl)pyrimidine (PubChem CID 114734330) has the molecular formula C14H10BrFN2O and a molecular weight of 321.15 g/mol. Its IUPAC name is 4-bromo-2-ethyl-6-(7-fluoro-1-benzofuran-2-yl)pyrimidine.

Molecular Properties

Compound Name4-bromo-2-ethyl-6-(7-fluoro-1-benzofuran-2-yl)pyrimidine
PubChem CID114734330
Molecular FormulaC14H10BrFN2O
Molecular Weight321.15 g/mol
Exact Mass320.00
IUPAC Name4-bromo-2-ethyl-6-(7-fluoro-1-benzofuran-2-yl)pyrimidine
SMILESCCc1nc(Br)cc(-c2cc3cccc(F)c3o2)n1
InChIInChI=1S/C14H10BrFN2O/c1-2-13-17-10(7-12(15)18-13)11-6-8-4-3-5-9(16)14(8)19-11/h3-7H,2H2,1H3
InChIKeyPXSRARXNENWVLY-UHFFFAOYSA-N
XLogP4.35
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.15
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-6-(7-fluoro-1-benzofuran-2-yl)pyrimidin-4-amine
CID 114734954
4-bromo-6-(7-fluoro-1-benzofuran-2-yl)-2-methylpyrimidine
CID 114734322
6-(7-fluoro-1-benzofuran-2-yl)-2-(methoxymethyl)pyrimidin-4-amine
CID 114734919
6-(7-fluoro-1-benzofuran-2-yl)-N-propylpyrimidin-4-amine
CID 114734949
2-chloro-6-(7-fluoro-1-benzofuran-2-yl)pyrazine
CID 114734299
[2-(7-fluoro-1-benzofuran-2-yl)-4-pyridinyl]methanamine
CID 115113748
2-cyclopropyl-6-(7-fluoro-1-benzofuran-2-yl)pyrimidin-4-amine
CID 114734909
4-bromo-2-ethyl-6-(1-methylpyrazol-3-yl)pyrimidine
CID 103132012
(7-fluoro-1-benzofuran-2-yl)-trimethylsilane
CID 130535912
N-[[4-(7-fluoro-1-benzofuran-2-yl)phenyl]methyl]ethanamine
CID 114732508
[4-(7-fluoro-1-benzofuran-2-yl)phenyl]methanamine
CID 114731985
2-(7-fluoro-1-benzofuran-2-yl)pyridine-4-carboxylic acid
CID 115113758

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-ethyl-6-(7-fluoro-1-benzofuran-2-yl)pyrimidine?
The IUPAC name of 4-bromo-2-ethyl-6-(7-fluoro-1-benzofuran-2-yl)pyrimidine (CID 114734330) is 4-bromo-2-ethyl-6-(7-fluoro-1-benzofuran-2-yl)pyrimidine.
What is the SMILES notation for 4-bromo-2-ethyl-6-(7-fluoro-1-benzofuran-2-yl)pyrimidine?
The canonical SMILES for 4-bromo-2-ethyl-6-(7-fluoro-1-benzofuran-2-yl)pyrimidine is CCc1nc(Br)cc(-c2cc3cccc(F)c3o2)n1.
What is the InChIKey of 4-bromo-2-ethyl-6-(7-fluoro-1-benzofuran-2-yl)pyrimidine?
The InChIKey is PXSRARXNENWVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFN2O/c1-2-13-17-10(7-12(15)18-13)11-6-8-4-3-5-9(16)14(8)19-11/h3-7H,2H2,1H3.
What are the key properties of 4-bromo-2-ethyl-6-(7-fluoro-1-benzofuran-2-yl)pyrimidine?
4-bromo-2-ethyl-6-(7-fluoro-1-benzofuran-2-yl)pyrimidine has a molecular weight of 321.15 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-ethyl-6-(7-fluoro-1-benzofuran-2-yl)pyrimidine is sourced from PubChem (CID 114734330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).