5-acetyl-3-butyl-2,4-dioxo-1H-pyrimidine-6-carboxylic acid

C11H14N2O5 — CID 13051522

IUPAC5-acetyl-3-butyl-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
SMILESCCCCn1c(=O)[nH]c(C(=O)O)c(C(C)=O)c1=O
InChIInChI=1S/C11H14N2O5/c1-3-4-5-13-9(15)7(6(2)14)8(10(16)17)12-11(13)18/h3-5H2,1-2H3,(H,12,18)(H,16,17)
InChIKeyLDNDBMUVJXSTLB-UHFFFAOYSA-N
MW254.24 g/mol
LogP0.24
Rot. Bonds5

About 5-acetyl-3-butyl-2,4-dioxo-1H-pyrimidine-6-carboxylic acid

5-acetyl-3-butyl-2,4-dioxo-1H-pyrimidine-6-carboxylic acid (PubChem CID 13051522) has the molecular formula C11H14N2O5 and a molecular weight of 254.24 g/mol. Its IUPAC name is 5-acetyl-3-butyl-2,4-dioxo-1H-pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name5-acetyl-3-butyl-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
PubChem CID13051522
Molecular FormulaC11H14N2O5
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC Name5-acetyl-3-butyl-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
SMILESCCCCn1c(=O)[nH]c(C(=O)O)c(C(C)=O)c1=O
InChIInChI=1S/C11H14N2O5/c1-3-4-5-13-9(15)7(6(2)14)8(10(16)17)12-11(13)18/h3-5H2,1-2H3,(H,12,18)(H,16,17)
InChIKeyLDNDBMUVJXSTLB-UHFFFAOYSA-N
XLogP0.24
TPSA109.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 68738502
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6-hydroxy-5-methyl-1-octylpyrimidine-2,4-dione
CID 112601536
6-amino-1-tetradecylpyrimidine-2,4-dione
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5-acetyl-1-ethyl-6-methylpyrimidine-2,4-dione
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7-butyl-4-hydroxy-6-oxothieno[2,3-b]pyridine-5-carboxylic acid
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1-decyl-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 115948792
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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-3-butyl-2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
The IUPAC name of 5-acetyl-3-butyl-2,4-dioxo-1H-pyrimidine-6-carboxylic acid (CID 13051522) is 5-acetyl-3-butyl-2,4-dioxo-1H-pyrimidine-6-carboxylic acid.
What is the SMILES notation for 5-acetyl-3-butyl-2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
The canonical SMILES for 5-acetyl-3-butyl-2,4-dioxo-1H-pyrimidine-6-carboxylic acid is CCCCn1c(=O)[nH]c(C(=O)O)c(C(C)=O)c1=O.
What is the InChIKey of 5-acetyl-3-butyl-2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
The InChIKey is LDNDBMUVJXSTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5/c1-3-4-5-13-9(15)7(6(2)14)8(10(16)17)12-11(13)18/h3-5H2,1-2H3,(H,12,18)(H,16,17).
What are the key properties of 5-acetyl-3-butyl-2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
5-acetyl-3-butyl-2,4-dioxo-1H-pyrimidine-6-carboxylic acid has a molecular weight of 254.24 g/mol, XLogP of 0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-3-butyl-2,4-dioxo-1H-pyrimidine-6-carboxylic acid is sourced from PubChem (CID 13051522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).