6-ethyl-7-methyl-3H-imidazo[1,2-a]pyrimidin-5-one

C9H11N3O — CID 22373707

IUPAC6-ethyl-7-methyl-3H-imidazo[1,2-a]pyrimidin-5-one
SMILESCCc1c(C)nc2n(c1=O)CC=N2
InChIInChI=1S/C9H11N3O/c1-3-7-6(2)11-9-10-4-5-12(9)8(7)13/h4H,3,5H2,1-2H3
InChIKeyBVNHDOYNUJAHLD-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.83
Rot. Bonds1

About 6-ethyl-7-methyl-3H-imidazo[1,2-a]pyrimidin-5-one

6-ethyl-7-methyl-3H-imidazo[1,2-a]pyrimidin-5-one (PubChem CID 22373707) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 6-ethyl-7-methyl-3H-imidazo[1,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-ethyl-7-methyl-3H-imidazo[1,2-a]pyrimidin-5-one
PubChem CID22373707
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name6-ethyl-7-methyl-3H-imidazo[1,2-a]pyrimidin-5-one
SMILESCCc1c(C)nc2n(c1=O)CC=N2
InChIInChI=1S/C9H11N3O/c1-3-7-6(2)11-9-10-4-5-12(9)8(7)13/h4H,3,5H2,1-2H3
InChIKeyBVNHDOYNUJAHLD-UHFFFAOYSA-N
XLogP0.83
TPSA47.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-7-methyl-3H-imidazo[1,2-a]pyrimidin-5-one?
The IUPAC name of 6-ethyl-7-methyl-3H-imidazo[1,2-a]pyrimidin-5-one (CID 22373707) is 6-ethyl-7-methyl-3H-imidazo[1,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-ethyl-7-methyl-3H-imidazo[1,2-a]pyrimidin-5-one?
The canonical SMILES for 6-ethyl-7-methyl-3H-imidazo[1,2-a]pyrimidin-5-one is CCc1c(C)nc2n(c1=O)CC=N2.
What is the InChIKey of 6-ethyl-7-methyl-3H-imidazo[1,2-a]pyrimidin-5-one?
The InChIKey is BVNHDOYNUJAHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-3-7-6(2)11-9-10-4-5-12(9)8(7)13/h4H,3,5H2,1-2H3.
What are the key properties of 6-ethyl-7-methyl-3H-imidazo[1,2-a]pyrimidin-5-one?
6-ethyl-7-methyl-3H-imidazo[1,2-a]pyrimidin-5-one has a molecular weight of 177.21 g/mol, XLogP of 0.83, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-7-methyl-3H-imidazo[1,2-a]pyrimidin-5-one is sourced from PubChem (CID 22373707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).