1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)ethanone

C8H11N3O — CID 136559933

IUPAC1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)ethanone
SMILESCC(=O)c1cnc2n1CCCN2
InChIInChI=1S/C8H11N3O/c1-6(12)7-5-10-8-9-3-2-4-11(7)8/h5H,2-4H2,1H3,(H,9,10)
InChIKeyRWMJUQICRMLPEM-UHFFFAOYSA-N
MW165.20 g/mol
LogP0.90
Rot. Bonds1

About 1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)ethanone

1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)ethanone (PubChem CID 136559933) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)ethanone.

Molecular Properties

Compound Name1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)ethanone
PubChem CID136559933
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)ethanone
SMILESCC(=O)c1cnc2n1CCCN2
InChIInChI=1S/C8H11N3O/c1-6(12)7-5-10-8-9-3-2-4-11(7)8/h5H,2-4H2,1H3,(H,9,10)
InChIKeyRWMJUQICRMLPEM-UHFFFAOYSA-N
XLogP0.90
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)ethanone?
The IUPAC name of 1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)ethanone (CID 136559933) is 1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)ethanone.
What is the SMILES notation for 1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)ethanone?
The canonical SMILES for 1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)ethanone is CC(=O)c1cnc2n1CCCN2.
What is the InChIKey of 1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)ethanone?
The InChIKey is RWMJUQICRMLPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c1-6(12)7-5-10-8-9-3-2-4-11(7)8/h5H,2-4H2,1H3,(H,9,10).
What are the key properties of 1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)ethanone?
1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)ethanone has a molecular weight of 165.20 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)ethanone is sourced from PubChem (CID 136559933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).