8-methyl-3-(2-oxopropyl)-6-propan-2-ylimidazo[1,2-c]pyrimidin-5-one

C13H17N3O2 — CID 71063281

IUPAC8-methyl-3-(2-oxopropyl)-6-propan-2-ylimidazo[1,2-c]pyrimidin-5-one
SMILESCC(=O)Cc1cnc2c(C)cn(C(C)C)c(=O)n12
InChIInChI=1S/C13H17N3O2/c1-8(2)15-7-9(3)12-14-6-11(5-10(4)17)16(12)13(15)18/h6-8H,5H2,1-4H3
InChIKeyASEMJHBGVPXGPP-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.52
Rot. Bonds3

About 8-methyl-3-(2-oxopropyl)-6-propan-2-ylimidazo[1,2-c]pyrimidin-5-one

8-methyl-3-(2-oxopropyl)-6-propan-2-ylimidazo[1,2-c]pyrimidin-5-one (PubChem CID 71063281) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 8-methyl-3-(2-oxopropyl)-6-propan-2-ylimidazo[1,2-c]pyrimidin-5-one.

Molecular Properties

Compound Name8-methyl-3-(2-oxopropyl)-6-propan-2-ylimidazo[1,2-c]pyrimidin-5-one
PubChem CID71063281
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name8-methyl-3-(2-oxopropyl)-6-propan-2-ylimidazo[1,2-c]pyrimidin-5-one
SMILESCC(=O)Cc1cnc2c(C)cn(C(C)C)c(=O)n12
InChIInChI=1S/C13H17N3O2/c1-8(2)15-7-9(3)12-14-6-11(5-10(4)17)16(12)13(15)18/h6-8H,5H2,1-4H3
InChIKeyASEMJHBGVPXGPP-UHFFFAOYSA-N
XLogP1.52
TPSA56.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-(2-oxopropyl)-6-propan-2-ylimidazo[1,2-c]pyrimidin-5-one?
The IUPAC name of 8-methyl-3-(2-oxopropyl)-6-propan-2-ylimidazo[1,2-c]pyrimidin-5-one (CID 71063281) is 8-methyl-3-(2-oxopropyl)-6-propan-2-ylimidazo[1,2-c]pyrimidin-5-one.
What is the SMILES notation for 8-methyl-3-(2-oxopropyl)-6-propan-2-ylimidazo[1,2-c]pyrimidin-5-one?
The canonical SMILES for 8-methyl-3-(2-oxopropyl)-6-propan-2-ylimidazo[1,2-c]pyrimidin-5-one is CC(=O)Cc1cnc2c(C)cn(C(C)C)c(=O)n12.
What is the InChIKey of 8-methyl-3-(2-oxopropyl)-6-propan-2-ylimidazo[1,2-c]pyrimidin-5-one?
The InChIKey is ASEMJHBGVPXGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-8(2)15-7-9(3)12-14-6-11(5-10(4)17)16(12)13(15)18/h6-8H,5H2,1-4H3.
What are the key properties of 8-methyl-3-(2-oxopropyl)-6-propan-2-ylimidazo[1,2-c]pyrimidin-5-one?
8-methyl-3-(2-oxopropyl)-6-propan-2-ylimidazo[1,2-c]pyrimidin-5-one has a molecular weight of 247.30 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-(2-oxopropyl)-6-propan-2-ylimidazo[1,2-c]pyrimidin-5-one is sourced from PubChem (CID 71063281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).