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

C11H13N3O — CID 84671493

IUPAC1-(2-propan-2-ylimidazo[1,2-a]pyrimidin-3-yl)ethanone
SMILESCC(=O)c1c(C(C)C)nc2ncccn12
InChIInChI=1S/C11H13N3O/c1-7(2)9-10(8(3)15)14-6-4-5-12-11(14)13-9/h4-7H,1-3H3
InChIKeyXVAQYSJDYJHNBT-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.06
Rot. Bonds2

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

1-(2-propan-2-ylimidazo[1,2-a]pyrimidin-3-yl)ethanone (PubChem CID 84671493) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is 1-(2-propan-2-ylimidazo[1,2-a]pyrimidin-3-yl)ethanone.

Molecular Properties

Compound Name1-(2-propan-2-ylimidazo[1,2-a]pyrimidin-3-yl)ethanone
PubChem CID84671493
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name1-(2-propan-2-ylimidazo[1,2-a]pyrimidin-3-yl)ethanone
SMILESCC(=O)c1c(C(C)C)nc2ncccn12
InChIInChI=1S/C11H13N3O/c1-7(2)9-10(8(3)15)14-6-4-5-12-11(14)13-9/h4-7H,1-3H3
InChIKeyXVAQYSJDYJHNBT-UHFFFAOYSA-N
XLogP2.06
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-propan-2-ylimidazo[1,2-a]pyrimidin-3-yl)acetic acid
CID 83837011
2-methylimidazo[1,2-a]pyrimidine-3-carboxylic acid;hydrochloride
CID 155291153
2-propylimidazo[1,2-a]pyrimidine-3-carboxylic acid
CID 115405202
1-(3-methoxy-2-methyl-5-propan-2-ylimidazol-4-yl)ethanone
CID 68882468
N-[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide
CID 133112462
2-(1H-pyrrol-3-yl)imidazo[1,2-a]pyrimidine-3-carboxylic acid
CID 82288178
N,2-bis(4-fluorophenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide
CID 71554419
N-(4-chlorophenyl)-2-(4-fluorophenyl)-N-propan-2-ylimidazo[1,2-a]pyrimidine-3-carboxamide
CID 71553723
N-benzyl-N,2-dimethylimidazo[1,2-a]pyrimidine-3-carboxamide
CID 29181988
2-bromo-1-(3-methylimidazo[1,2-a]pyrimidin-2-yl)ethanone
CID 155423157
2-chloropyrimido[1,2-a]pyrimidin-4-one
CID 54857422
2,3-di(propan-2-yl)imidazo[1,2-a]pyrazine;2,3-di(propan-2-yl)imidazo[1,2-a]pyridine;2,3-di(propan-2-yl)imidazo[1,2-a]pyrimidine;2,3-di(propan-2-yl)imidazo[1,2-b]pyridazine
CID 160584696

Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-ylimidazo[1,2-a]pyrimidin-3-yl)ethanone?
The IUPAC name of 1-(2-propan-2-ylimidazo[1,2-a]pyrimidin-3-yl)ethanone (CID 84671493) is 1-(2-propan-2-ylimidazo[1,2-a]pyrimidin-3-yl)ethanone.
What is the SMILES notation for 1-(2-propan-2-ylimidazo[1,2-a]pyrimidin-3-yl)ethanone?
The canonical SMILES for 1-(2-propan-2-ylimidazo[1,2-a]pyrimidin-3-yl)ethanone is CC(=O)c1c(C(C)C)nc2ncccn12.
What is the InChIKey of 1-(2-propan-2-ylimidazo[1,2-a]pyrimidin-3-yl)ethanone?
The InChIKey is XVAQYSJDYJHNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-7(2)9-10(8(3)15)14-6-4-5-12-11(14)13-9/h4-7H,1-3H3.
What are the key properties of 1-(2-propan-2-ylimidazo[1,2-a]pyrimidin-3-yl)ethanone?
1-(2-propan-2-ylimidazo[1,2-a]pyrimidin-3-yl)ethanone has a molecular weight of 203.24 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-ylimidazo[1,2-a]pyrimidin-3-yl)ethanone is sourced from PubChem (CID 84671493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).