6-(2-oxobutyl)-1H-pyrimidine-2,4-dione

C8H10N2O3 — CID 83856785

IUPAC6-(2-oxobutyl)-1H-pyrimidine-2,4-dione
SMILESCCC(=O)Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C8H10N2O3/c1-2-6(11)3-5-4-7(12)10-8(13)9-5/h4H,2-3H2,1H3,(H2,9,10,12,13)
InChIKeyWUKVABWPJSJGLH-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.42
Rot. Bonds3

About 6-(2-oxobutyl)-1H-pyrimidine-2,4-dione

6-(2-oxobutyl)-1H-pyrimidine-2,4-dione (PubChem CID 83856785) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 6-(2-oxobutyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(2-oxobutyl)-1H-pyrimidine-2,4-dione
PubChem CID83856785
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name6-(2-oxobutyl)-1H-pyrimidine-2,4-dione
SMILESCCC(=O)Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C8H10N2O3/c1-2-6(11)3-5-4-7(12)10-8(13)9-5/h4H,2-3H2,1H3,(H2,9,10,12,13)
InChIKeyWUKVABWPJSJGLH-UHFFFAOYSA-N
XLogP-0.42
TPSA82.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-yl 2-(2,4-dioxo-1H-pyrimidin-6-yl)acetate
CID 10751009
N-(4-acetamidophenyl)-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide
CID 110700119
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3-methyl-2-propan-2-ylbutyl)acetamide
CID 102915109
3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-2,2-dimethylpropanoic acid
CID 115427228
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3-hydroxy-2-methylpropyl)acetamide
CID 65037150
2-[[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]methyl]pentanoic acid
CID 65223162
6-(methylaminomethyl)-1H-pyrimidine-2,4-dione
CID 60641297
3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]-2-methylpropanoic acid
CID 55008446
6-[2-(1-adamantyl)-2-oxoethyl]-1H-pyrimidine-2,4-dione
CID 46894801
4-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]butanoic acid
CID 43355166
(2S)-2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-4-methoxy-4-oxobutanoic acid
CID 63307202
1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-4-methylpiperidine-4-carboxylic acid
CID 63123543

Frequently Asked Questions

What is the IUPAC name of 6-(2-oxobutyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(2-oxobutyl)-1H-pyrimidine-2,4-dione (CID 83856785) is 6-(2-oxobutyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(2-oxobutyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(2-oxobutyl)-1H-pyrimidine-2,4-dione is CCC(=O)Cc1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 6-(2-oxobutyl)-1H-pyrimidine-2,4-dione?
The InChIKey is WUKVABWPJSJGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-2-6(11)3-5-4-7(12)10-8(13)9-5/h4H,2-3H2,1H3,(H2,9,10,12,13).
What are the key properties of 6-(2-oxobutyl)-1H-pyrimidine-2,4-dione?
6-(2-oxobutyl)-1H-pyrimidine-2,4-dione has a molecular weight of 182.18 g/mol, XLogP of -0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-oxobutyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 83856785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).