1-(5-bromopyrimidin-2-yl)ethanone

C6H5BrN2O — CID 53488064

IUPAC1-(5-bromopyrimidin-2-yl)ethanone
SMILESCC(=O)c1ncc(Br)cn1
InChIInChI=1S/C6H5BrN2O/c1-4(10)6-8-2-5(7)3-9-6/h2-3H,1H3
InChIKeyNZGSEUQFYKCKRU-UHFFFAOYSA-N
MW201.02 g/mol
LogP1.44
Rot. Bonds1

About 1-(5-bromopyrimidin-2-yl)ethanone

1-(5-bromopyrimidin-2-yl)ethanone (PubChem CID 53488064) has the molecular formula C6H5BrN2O and a molecular weight of 201.02 g/mol. Its IUPAC name is 1-(5-bromopyrimidin-2-yl)ethanone.

Molecular Properties

Compound Name1-(5-bromopyrimidin-2-yl)ethanone
PubChem CID53488064
Molecular FormulaC6H5BrN2O
Molecular Weight201.02 g/mol
Exact Mass199.96
IUPAC Name1-(5-bromopyrimidin-2-yl)ethanone
SMILESCC(=O)c1ncc(Br)cn1
InChIInChI=1S/C6H5BrN2O/c1-4(10)6-8-2-5(7)3-9-6/h2-3H,1H3
InChIKeyNZGSEUQFYKCKRU-UHFFFAOYSA-N
XLogP1.44
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.02
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-Bromopyrimidine-2-carbonitrile
CID 686546
Pyrimidine, 5-bromo-2-methoxy-
CID 139657
5-Bromo-2-ethoxypyrimidine
CID 16427141
1-(Pyrimidin-2-yl)ethan-1-one
CID 11607909
5-Bromo-2-methylpyrimidine
CID 14387744
5-Bromo-2-ethylpyrimidine
CID 25150069
5-Bromo-2-tert-butylpyrimidine
CID 13532898
5-Bromo-2-(tert-butoxy)pyrimidine
CID 14242657
2-Acetyl-5-methylpyrimidine
CID 14321004
5-Bromopyrimidine-2-carboxylic acid
CID 16462970
5-Bromo-2-(1-methylethyl)pyrimidine
CID 20444418
2-Acetamido-5-bromopyrimidine
CID 22593724

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromopyrimidin-2-yl)ethanone?
The IUPAC name of 1-(5-bromopyrimidin-2-yl)ethanone (CID 53488064) is 1-(5-bromopyrimidin-2-yl)ethanone.
What is the SMILES notation for 1-(5-bromopyrimidin-2-yl)ethanone?
The canonical SMILES for 1-(5-bromopyrimidin-2-yl)ethanone is CC(=O)c1ncc(Br)cn1.
What is the InChIKey of 1-(5-bromopyrimidin-2-yl)ethanone?
The InChIKey is NZGSEUQFYKCKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrN2O/c1-4(10)6-8-2-5(7)3-9-6/h2-3H,1H3.
What are the key properties of 1-(5-bromopyrimidin-2-yl)ethanone?
1-(5-bromopyrimidin-2-yl)ethanone has a molecular weight of 201.02 g/mol, XLogP of 1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromopyrimidin-2-yl)ethanone is sourced from PubChem (CID 53488064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).