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

C9H10N2O5 — CID 13051521

IUPAC5-acetyl-3-ethyl-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
SMILESCCn1c(=O)[nH]c(C(=O)O)c(C(C)=O)c1=O
InChIInChI=1S/C9H10N2O5/c1-3-11-7(13)5(4(2)12)6(8(14)15)10-9(11)16/h3H2,1-2H3,(H,10,16)(H,14,15)
InChIKeyUXNASIODGKLGKY-UHFFFAOYSA-N
MW226.19 g/mol
LogP-0.54
Rot. Bonds3

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

5-acetyl-3-ethyl-2,4-dioxo-1H-pyrimidine-6-carboxylic acid (PubChem CID 13051521) has the molecular formula C9H10N2O5 and a molecular weight of 226.19 g/mol. Its IUPAC name is 5-acetyl-3-ethyl-2,4-dioxo-1H-pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name5-acetyl-3-ethyl-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
PubChem CID13051521
Molecular FormulaC9H10N2O5
Molecular Weight226.19 g/mol
Exact Mass226.06
IUPAC Name5-acetyl-3-ethyl-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
SMILESCCn1c(=O)[nH]c(C(=O)O)c(C(C)=O)c1=O
InChIInChI=1S/C9H10N2O5/c1-3-11-7(13)5(4(2)12)6(8(14)15)10-9(11)16/h3H2,1-2H3,(H,10,16)(H,14,15)
InChIKeyUXNASIODGKLGKY-UHFFFAOYSA-N
XLogP-0.54
TPSA109.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.19
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-3-ethyl-2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
The IUPAC name of 5-acetyl-3-ethyl-2,4-dioxo-1H-pyrimidine-6-carboxylic acid (CID 13051521) is 5-acetyl-3-ethyl-2,4-dioxo-1H-pyrimidine-6-carboxylic acid.
What is the SMILES notation for 5-acetyl-3-ethyl-2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
The canonical SMILES for 5-acetyl-3-ethyl-2,4-dioxo-1H-pyrimidine-6-carboxylic acid is CCn1c(=O)[nH]c(C(=O)O)c(C(C)=O)c1=O.
What is the InChIKey of 5-acetyl-3-ethyl-2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
The InChIKey is UXNASIODGKLGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O5/c1-3-11-7(13)5(4(2)12)6(8(14)15)10-9(11)16/h3H2,1-2H3,(H,10,16)(H,14,15).
What are the key properties of 5-acetyl-3-ethyl-2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
5-acetyl-3-ethyl-2,4-dioxo-1H-pyrimidine-6-carboxylic acid has a molecular weight of 226.19 g/mol, XLogP of -0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-3-ethyl-2,4-dioxo-1H-pyrimidine-6-carboxylic acid is sourced from PubChem (CID 13051521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).