1-(3-bromo-2-methylimidazo[1,2-a]pyrimidin-6-yl)ethanone

C9H8BrN3O — CID 84708049

IUPAC1-(3-bromo-2-methylimidazo[1,2-a]pyrimidin-6-yl)ethanone
SMILESCC(=O)c1cnc2nc(C)c(Br)n2c1
InChIInChI=1S/C9H8BrN3O/c1-5-8(10)13-4-7(6(2)14)3-11-9(13)12-5/h3-4H,1-2H3
InChIKeyFXWMHEAQWYDDGO-UHFFFAOYSA-N
MW254.09 g/mol
LogP2.00
Rot. Bonds1

About 1-(3-bromo-2-methylimidazo[1,2-a]pyrimidin-6-yl)ethanone

1-(3-bromo-2-methylimidazo[1,2-a]pyrimidin-6-yl)ethanone (PubChem CID 84708049) has the molecular formula C9H8BrN3O and a molecular weight of 254.09 g/mol. Its IUPAC name is 1-(3-bromo-2-methylimidazo[1,2-a]pyrimidin-6-yl)ethanone.

Molecular Properties

Compound Name1-(3-bromo-2-methylimidazo[1,2-a]pyrimidin-6-yl)ethanone
PubChem CID84708049
Molecular FormulaC9H8BrN3O
Molecular Weight254.09 g/mol
Exact Mass252.99
IUPAC Name1-(3-bromo-2-methylimidazo[1,2-a]pyrimidin-6-yl)ethanone
SMILESCC(=O)c1cnc2nc(C)c(Br)n2c1
InChIInChI=1S/C9H8BrN3O/c1-5-8(10)13-4-7(6(2)14)3-11-9(13)12-5/h3-4H,1-2H3
InChIKeyFXWMHEAQWYDDGO-UHFFFAOYSA-N
XLogP2.00
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.09
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-bromo-2-methylimidazo[1,2-a]pyrimidin-3-yl)acetic acid
CID 83844831
1-(3-bromo-2-methylimidazo[1,2-a]pyrimidin-6-yl)cyclopropan-1-amine
CID 84808019
6-bromo-7-methylimidazo[1,2-a]pyrimidine-3-carboxylic acid
CID 156517241
2-amino-1-(6-bromo-2-methylimidazo[1,2-a]pyrimidin-3-yl)ethanone
CID 83844753
6-amino-3-bromoimidazo[1,2-a]pyrimidine-2-carboxylic acid
CID 83768677
1-(2-methylpyrazolo[3,4-b]pyridin-5-yl)ethanone
CID 168803143
2-amino-1-(3-bromoimidazo[1,2-a]pyrimidin-6-yl)ethanone
CID 83844054
1-(3-cyclopropyl-1-methylimidazo[1,5-a]pyridin-6-yl)ethanone
CID 83886344
3-bromo-2,8-dimethylimidazo[1,2-a]pyrazine
CID 153124401
1-(1-bromo-3-cyclopropylimidazo[1,5-a]pyridin-6-yl)ethanone
CID 83904650
1-(6-methyl-3-pyridinyl)ethanone;hydrochloride
CID 67521674
1-(6-propan-2-ylimidazo[1,2-a]pyrimidin-3-yl)ethanone
CID 84671495

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-methylimidazo[1,2-a]pyrimidin-6-yl)ethanone?
The IUPAC name of 1-(3-bromo-2-methylimidazo[1,2-a]pyrimidin-6-yl)ethanone (CID 84708049) is 1-(3-bromo-2-methylimidazo[1,2-a]pyrimidin-6-yl)ethanone.
What is the SMILES notation for 1-(3-bromo-2-methylimidazo[1,2-a]pyrimidin-6-yl)ethanone?
The canonical SMILES for 1-(3-bromo-2-methylimidazo[1,2-a]pyrimidin-6-yl)ethanone is CC(=O)c1cnc2nc(C)c(Br)n2c1.
What is the InChIKey of 1-(3-bromo-2-methylimidazo[1,2-a]pyrimidin-6-yl)ethanone?
The InChIKey is FXWMHEAQWYDDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN3O/c1-5-8(10)13-4-7(6(2)14)3-11-9(13)12-5/h3-4H,1-2H3.
What are the key properties of 1-(3-bromo-2-methylimidazo[1,2-a]pyrimidin-6-yl)ethanone?
1-(3-bromo-2-methylimidazo[1,2-a]pyrimidin-6-yl)ethanone has a molecular weight of 254.09 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-methylimidazo[1,2-a]pyrimidin-6-yl)ethanone is sourced from PubChem (CID 84708049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).