2-(2-propan-2-ylimidazo[1,2-a]pyrimidin-3-yl)acetic acid

C11H13N3O2 — CID 83837011

IUPAC2-(2-propan-2-ylimidazo[1,2-a]pyrimidin-3-yl)acetic acid
SMILESCC(C)c1nc2ncccn2c1CC(=O)O
InChIInChI=1S/C11H13N3O2/c1-7(2)10-8(6-9(15)16)14-5-3-4-12-11(14)13-10/h3-5,7H,6H2,1-2H3,(H,15,16)
InChIKeyHBYMJJRFIBYCQG-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.48
Rot. Bonds3

About 2-(2-propan-2-ylimidazo[1,2-a]pyrimidin-3-yl)acetic acid

2-(2-propan-2-ylimidazo[1,2-a]pyrimidin-3-yl)acetic acid (PubChem CID 83837011) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-(2-propan-2-ylimidazo[1,2-a]pyrimidin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(2-propan-2-ylimidazo[1,2-a]pyrimidin-3-yl)acetic acid
PubChem CID83837011
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name2-(2-propan-2-ylimidazo[1,2-a]pyrimidin-3-yl)acetic acid
SMILESCC(C)c1nc2ncccn2c1CC(=O)O
InChIInChI=1S/C11H13N3O2/c1-7(2)10-8(6-9(15)16)14-5-3-4-12-11(14)13-10/h3-5,7H,6H2,1-2H3,(H,15,16)
InChIKeyHBYMJJRFIBYCQG-UHFFFAOYSA-N
XLogP1.48
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethylimidazo[1,2-a]pyrimidin-3-yl)acetic acid
CID 83832770
1-(2-propan-2-ylimidazo[1,2-a]pyrimidin-3-yl)ethanone
CID 84671493
2-[2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-3-yl]acetic acid
CID 82304788
2-(8-fluoro-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)acetic acid
CID 82529262
2-methylimidazo[1,2-a]pyrimidine-3-carboxylic acid;hydrochloride
CID 155291153
N-methyl-1-(2-methylimidazo[1,2-a]pyrimidin-3-yl)methanamine
CID 83827625
2-propylimidazo[1,2-a]pyrimidine-3-carboxylic acid
CID 115405202
2-(2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)acetic acid
CID 136995551
3-ethylsulfonylimidazo[1,2-a]pyrimidine-2-carboxylic acid
CID 156889877
1-(3,8-diazabicyclo[3.2.1]octan-8-yl)-2-[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrimidin-3-yl]ethanone
CID 175895866
2-ethyl-1-imidazo[1,2-a]pyrimidin-3-ylbutan-1-one
CID 166942027
2-bromo-1-(3-methylimidazo[1,2-a]pyrimidin-2-yl)ethanone
CID 155423157

Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-ylimidazo[1,2-a]pyrimidin-3-yl)acetic acid?
The IUPAC name of 2-(2-propan-2-ylimidazo[1,2-a]pyrimidin-3-yl)acetic acid (CID 83837011) is 2-(2-propan-2-ylimidazo[1,2-a]pyrimidin-3-yl)acetic acid.
What is the SMILES notation for 2-(2-propan-2-ylimidazo[1,2-a]pyrimidin-3-yl)acetic acid?
The canonical SMILES for 2-(2-propan-2-ylimidazo[1,2-a]pyrimidin-3-yl)acetic acid is CC(C)c1nc2ncccn2c1CC(=O)O.
What is the InChIKey of 2-(2-propan-2-ylimidazo[1,2-a]pyrimidin-3-yl)acetic acid?
The InChIKey is HBYMJJRFIBYCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-7(2)10-8(6-9(15)16)14-5-3-4-12-11(14)13-10/h3-5,7H,6H2,1-2H3,(H,15,16).
What are the key properties of 2-(2-propan-2-ylimidazo[1,2-a]pyrimidin-3-yl)acetic acid?
2-(2-propan-2-ylimidazo[1,2-a]pyrimidin-3-yl)acetic acid has a molecular weight of 219.24 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-ylimidazo[1,2-a]pyrimidin-3-yl)acetic acid is sourced from PubChem (CID 83837011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).