3-(2-oxobutyl)-6H-imidazo[1,2-c]pyrimidin-5-one

C10H11N3O2 — CID 169449386

IUPAC3-(2-oxobutyl)-6H-imidazo[1,2-c]pyrimidin-5-one
SMILESCCC(=O)Cc1cnc2cc[nH]c(=O)n12
InChIInChI=1S/C10H11N3O2/c1-2-8(14)5-7-6-12-9-3-4-11-10(15)13(7)9/h3-4,6H,2,5H2,1H3,(H,11,15)
InChIKeyASSVZYMLCZRSJX-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.54
Rot. Bonds3

About 3-(2-oxobutyl)-6H-imidazo[1,2-c]pyrimidin-5-one

3-(2-oxobutyl)-6H-imidazo[1,2-c]pyrimidin-5-one (PubChem CID 169449386) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 3-(2-oxobutyl)-6H-imidazo[1,2-c]pyrimidin-5-one.

Molecular Properties

Compound Name3-(2-oxobutyl)-6H-imidazo[1,2-c]pyrimidin-5-one
PubChem CID169449386
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name3-(2-oxobutyl)-6H-imidazo[1,2-c]pyrimidin-5-one
SMILESCCC(=O)Cc1cnc2cc[nH]c(=O)n12
InChIInChI=1S/C10H11N3O2/c1-2-8(14)5-7-6-12-9-3-4-11-10(15)13(7)9/h3-4,6H,2,5H2,1H3,(H,11,15)
InChIKeyASSVZYMLCZRSJX-UHFFFAOYSA-N
XLogP0.54
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-oxobutyl)-6H-imidazo[1,2-c]pyrimidin-5-one?
The IUPAC name of 3-(2-oxobutyl)-6H-imidazo[1,2-c]pyrimidin-5-one (CID 169449386) is 3-(2-oxobutyl)-6H-imidazo[1,2-c]pyrimidin-5-one.
What is the SMILES notation for 3-(2-oxobutyl)-6H-imidazo[1,2-c]pyrimidin-5-one?
The canonical SMILES for 3-(2-oxobutyl)-6H-imidazo[1,2-c]pyrimidin-5-one is CCC(=O)Cc1cnc2cc[nH]c(=O)n12.
What is the InChIKey of 3-(2-oxobutyl)-6H-imidazo[1,2-c]pyrimidin-5-one?
The InChIKey is ASSVZYMLCZRSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-2-8(14)5-7-6-12-9-3-4-11-10(15)13(7)9/h3-4,6H,2,5H2,1H3,(H,11,15).
What are the key properties of 3-(2-oxobutyl)-6H-imidazo[1,2-c]pyrimidin-5-one?
3-(2-oxobutyl)-6H-imidazo[1,2-c]pyrimidin-5-one has a molecular weight of 205.22 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxobutyl)-6H-imidazo[1,2-c]pyrimidin-5-one is sourced from PubChem (CID 169449386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).