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

C9H9BrN4O — CID 83844753

IUPAC2-amino-1-(6-bromo-2-methylimidazo[1,2-a]pyrimidin-3-yl)ethanone
SMILESCc1nc2ncc(Br)cn2c1C(=O)CN
InChIInChI=1S/C9H9BrN4O/c1-5-8(7(15)2-11)14-4-6(10)3-12-9(14)13-5/h3-4H,2,11H2,1H3
InChIKeyYHPBXLFNVDWGFI-UHFFFAOYSA-N
MW269.10 g/mol
LogP0.94
Rot. Bonds2

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

2-amino-1-(6-bromo-2-methylimidazo[1,2-a]pyrimidin-3-yl)ethanone (PubChem CID 83844753) has the molecular formula C9H9BrN4O and a molecular weight of 269.10 g/mol. Its IUPAC name is 2-amino-1-(6-bromo-2-methylimidazo[1,2-a]pyrimidin-3-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(6-bromo-2-methylimidazo[1,2-a]pyrimidin-3-yl)ethanone
PubChem CID83844753
Molecular FormulaC9H9BrN4O
Molecular Weight269.10 g/mol
Exact Mass268.00
IUPAC Name2-amino-1-(6-bromo-2-methylimidazo[1,2-a]pyrimidin-3-yl)ethanone
SMILESCc1nc2ncc(Br)cn2c1C(=O)CN
InChIInChI=1S/C9H9BrN4O/c1-5-8(7(15)2-11)14-4-6(10)3-12-9(14)13-5/h3-4H,2,11H2,1H3
InChIKeyYHPBXLFNVDWGFI-UHFFFAOYSA-N
XLogP0.94
TPSA73.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.10
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-bromo-2-methylimidazo[1,2-a]pyrimidin-3-yl)acetic acid
CID 83844831
2-amino-1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)ethanone
CID 83832171
6-bromo-2-phenylimidazo[1,2-a]pyrimidine-3-carboxylic acid
CID 113303483
(6-bromo-2-ethylimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxyphenyl)methanone
CID 139342763
6-bromo-7-methylimidazo[1,2-a]pyrimidine-3-carboxylic acid
CID 156517241
2-amino-1-(3-bromoimidazo[1,2-a]pyrimidin-6-yl)ethanone
CID 83844054
1-(3-bromo-2-methylimidazo[1,2-a]pyrimidin-6-yl)ethanone
CID 84708049
6-bromo-3-ethyl-2-phenylimidazo[1,2-a]pyrimidine
CID 113303380
3-bromopyrimido[1,2-a]benzimidazole
CID 28819039
ethyl 3-bromopyrrolo[1,2-a]pyrimidine-6-carboxylate
CID 135393217
2-amino-1-(6-bromoimidazo[1,2-a]pyrazin-2-yl)ethanone
CID 84708367
ethyl 6-bromo-8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carboxylate
CID 90089878

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(6-bromo-2-methylimidazo[1,2-a]pyrimidin-3-yl)ethanone?
The IUPAC name of 2-amino-1-(6-bromo-2-methylimidazo[1,2-a]pyrimidin-3-yl)ethanone (CID 83844753) is 2-amino-1-(6-bromo-2-methylimidazo[1,2-a]pyrimidin-3-yl)ethanone.
What is the SMILES notation for 2-amino-1-(6-bromo-2-methylimidazo[1,2-a]pyrimidin-3-yl)ethanone?
The canonical SMILES for 2-amino-1-(6-bromo-2-methylimidazo[1,2-a]pyrimidin-3-yl)ethanone is Cc1nc2ncc(Br)cn2c1C(=O)CN.
What is the InChIKey of 2-amino-1-(6-bromo-2-methylimidazo[1,2-a]pyrimidin-3-yl)ethanone?
The InChIKey is YHPBXLFNVDWGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN4O/c1-5-8(7(15)2-11)14-4-6(10)3-12-9(14)13-5/h3-4H,2,11H2,1H3.
What are the key properties of 2-amino-1-(6-bromo-2-methylimidazo[1,2-a]pyrimidin-3-yl)ethanone?
2-amino-1-(6-bromo-2-methylimidazo[1,2-a]pyrimidin-3-yl)ethanone has a molecular weight of 269.10 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(6-bromo-2-methylimidazo[1,2-a]pyrimidin-3-yl)ethanone is sourced from PubChem (CID 83844753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).