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

C9H8BrN3O2 — CID 83844831

IUPAC2-(6-bromo-2-methylimidazo[1,2-a]pyrimidin-3-yl)acetic acid
SMILESCc1nc2ncc(Br)cn2c1CC(=O)O
InChIInChI=1S/C9H8BrN3O2/c1-5-7(2-8(14)15)13-4-6(10)3-11-9(13)12-5/h3-4H,2H2,1H3,(H,14,15)
InChIKeyKESUBWQRXIXFCX-UHFFFAOYSA-N
MW270.09 g/mol
LogP1.43
Rot. Bonds2

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

2-(6-bromo-2-methylimidazo[1,2-a]pyrimidin-3-yl)acetic acid (PubChem CID 83844831) has the molecular formula C9H8BrN3O2 and a molecular weight of 270.09 g/mol. Its IUPAC name is 2-(6-bromo-2-methylimidazo[1,2-a]pyrimidin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(6-bromo-2-methylimidazo[1,2-a]pyrimidin-3-yl)acetic acid
PubChem CID83844831
Molecular FormulaC9H8BrN3O2
Molecular Weight270.09 g/mol
Exact Mass268.98
IUPAC Name2-(6-bromo-2-methylimidazo[1,2-a]pyrimidin-3-yl)acetic acid
SMILESCc1nc2ncc(Br)cn2c1CC(=O)O
InChIInChI=1S/C9H8BrN3O2/c1-5-7(2-8(14)15)13-4-6(10)3-11-9(13)12-5/h3-4H,2H2,1H3,(H,14,15)
InChIKeyKESUBWQRXIXFCX-UHFFFAOYSA-N
XLogP1.43
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.09
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(6-bromo-2-methylimidazo[1,2-a]pyrimidin-3-yl)ethanone
CID 83844753
6-bromo-7-methylimidazo[1,2-a]pyrimidine-3-carboxylic acid
CID 156517241
1-(3-bromo-2-methylimidazo[1,2-a]pyrimidin-6-yl)ethanone
CID 84708049
3-(6-bromo-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)propanoic acid
CID 83903481
6-bromo-3-ethyl-2-phenylimidazo[1,2-a]pyrimidine
CID 113303380
6-bromo-2-phenylimidazo[1,2-a]pyrimidine-3-carboxylic acid
CID 113303483
2-[1-(5-bromopyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetic acid
CID 63871923
(6-bromo-2-ethylimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxyphenyl)methanone
CID 139342763
6-bromo-2-(4-methoxyphenyl)-3-methylimidazo[1,2-a]pyrimidine
CID 115404592
3-(7-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)propanoic acid
CID 82529860
2-[8-(2-amino-2-oxoethoxy)-2-methylimidazo[1,2-a]pyridin-3-yl]acetic acid
CID 82055736
2-(2-ethylimidazo[1,2-a]pyrimidin-3-yl)acetic acid
CID 83832770

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-2-methylimidazo[1,2-a]pyrimidin-3-yl)acetic acid?
The IUPAC name of 2-(6-bromo-2-methylimidazo[1,2-a]pyrimidin-3-yl)acetic acid (CID 83844831) is 2-(6-bromo-2-methylimidazo[1,2-a]pyrimidin-3-yl)acetic acid.
What is the SMILES notation for 2-(6-bromo-2-methylimidazo[1,2-a]pyrimidin-3-yl)acetic acid?
The canonical SMILES for 2-(6-bromo-2-methylimidazo[1,2-a]pyrimidin-3-yl)acetic acid is Cc1nc2ncc(Br)cn2c1CC(=O)O.
What is the InChIKey of 2-(6-bromo-2-methylimidazo[1,2-a]pyrimidin-3-yl)acetic acid?
The InChIKey is KESUBWQRXIXFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN3O2/c1-5-7(2-8(14)15)13-4-6(10)3-11-9(13)12-5/h3-4H,2H2,1H3,(H,14,15).
What are the key properties of 2-(6-bromo-2-methylimidazo[1,2-a]pyrimidin-3-yl)acetic acid?
2-(6-bromo-2-methylimidazo[1,2-a]pyrimidin-3-yl)acetic acid has a molecular weight of 270.09 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-2-methylimidazo[1,2-a]pyrimidin-3-yl)acetic acid is sourced from PubChem (CID 83844831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).