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

C10H11N3O2 — CID 169449433

IUPAC2-(2-oxobutyl)-6H-imidazo[1,2-c]pyrimidin-5-one
SMILESCCC(=O)Cc1cn2c(=O)[nH]ccc2n1
InChIInChI=1S/C10H11N3O2/c1-2-8(14)5-7-6-13-9(12-7)3-4-11-10(13)15/h3-4,6H,2,5H2,1H3,(H,11,15)
InChIKeyRFTXPGXSKSEWLR-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.54
Rot. Bonds3

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

2-(2-oxobutyl)-6H-imidazo[1,2-c]pyrimidin-5-one (PubChem CID 169449433) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 2-(2-oxobutyl)-6H-imidazo[1,2-c]pyrimidin-5-one.

Molecular Properties

Compound Name2-(2-oxobutyl)-6H-imidazo[1,2-c]pyrimidin-5-one
PubChem CID169449433
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name2-(2-oxobutyl)-6H-imidazo[1,2-c]pyrimidin-5-one
SMILESCCC(=O)Cc1cn2c(=O)[nH]ccc2n1
InChIInChI=1S/C10H11N3O2/c1-2-8(14)5-7-6-13-9(12-7)3-4-11-10(13)15/h3-4,6H,2,5H2,1H3,(H,11,15)
InChIKeyRFTXPGXSKSEWLR-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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Related Compounds

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CID 166485143
N4-Hydroxyestrogen-cytosine
CID 169449386
3,N4-4-Oxo-2-hexenal-5-methyl-cytosine
CID 169449387
3,N4-Epoxyoctenal-cytosine
CID 169449457
1-(1-Acetyl-2-butylimidazol-4-yl)propan-2-one
CID 23213393
N-[(2S)-1-(3-methylimidazol-4-yl)-3-oxobutan-2-yl]prop-2-enamide;yttrium
CID 59371793
1-(2-Amino-1-methylimidazol-4-yl)propan-2-one
CID 59733432
4-(3-Acetyl-2-butylimidazol-4-yl)butan-2-one
CID 70259226
8-Methyl-3-(2-oxopropyl)-6-propan-2-ylimidazo[1,2-c]pyrimidin-5-one
CID 71063281
6-Methyl-3-(2-oxopropyl)imidazo[1,2-c]pyrimidin-5-one
CID 71064825
6,8-Dimethyl-3-(2-oxopropyl)imidazo[1,2-c]pyrimidin-5-one
CID 71064826
1-(1,2-Dimethylimidazol-4-yl)propan-2-one
CID 82595022

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxobutyl)-6H-imidazo[1,2-c]pyrimidin-5-one?
The IUPAC name of 2-(2-oxobutyl)-6H-imidazo[1,2-c]pyrimidin-5-one (CID 169449433) is 2-(2-oxobutyl)-6H-imidazo[1,2-c]pyrimidin-5-one.
What is the SMILES notation for 2-(2-oxobutyl)-6H-imidazo[1,2-c]pyrimidin-5-one?
The canonical SMILES for 2-(2-oxobutyl)-6H-imidazo[1,2-c]pyrimidin-5-one is CCC(=O)Cc1cn2c(=O)[nH]ccc2n1.
What is the InChIKey of 2-(2-oxobutyl)-6H-imidazo[1,2-c]pyrimidin-5-one?
The InChIKey is RFTXPGXSKSEWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-2-8(14)5-7-6-13-9(12-7)3-4-11-10(13)15/h3-4,6H,2,5H2,1H3,(H,11,15).
What are the key properties of 2-(2-oxobutyl)-6H-imidazo[1,2-c]pyrimidin-5-one?
2-(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 2-(2-oxobutyl)-6H-imidazo[1,2-c]pyrimidin-5-one is sourced from PubChem (CID 169449433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).