2-(5-acetyl-2,4-dioxo-1H-pyrimidin-3-yl)-N-ethylacetamide

C10H13N3O4 — CID 80642977

IUPAC2-(5-acetyl-2,4-dioxo-1H-pyrimidin-3-yl)-N-ethylacetamide
SMILESCCNC(=O)Cn1c(=O)[nH]cc(C(C)=O)c1=O
InChIInChI=1S/C10H13N3O4/c1-3-11-8(15)5-13-9(16)7(6(2)14)4-12-10(13)17/h4H,3,5H2,1-2H3,(H,11,15)(H,12,17)
InChIKeyQZTDCFJGSLXUNZ-UHFFFAOYSA-N
MW239.23 g/mol
LogP-1.12
Rot. Bonds4

About 2-(5-acetyl-2,4-dioxo-1H-pyrimidin-3-yl)-N-ethylacetamide

2-(5-acetyl-2,4-dioxo-1H-pyrimidin-3-yl)-N-ethylacetamide (PubChem CID 80642977) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is 2-(5-acetyl-2,4-dioxo-1H-pyrimidin-3-yl)-N-ethylacetamide.

Molecular Properties

Compound Name2-(5-acetyl-2,4-dioxo-1H-pyrimidin-3-yl)-N-ethylacetamide
PubChem CID80642977
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name2-(5-acetyl-2,4-dioxo-1H-pyrimidin-3-yl)-N-ethylacetamide
SMILESCCNC(=O)Cn1c(=O)[nH]cc(C(C)=O)c1=O
InChIInChI=1S/C10H13N3O4/c1-3-11-8(15)5-13-9(16)7(6(2)14)4-12-10(13)17/h4H,3,5H2,1-2H3,(H,11,15)(H,12,17)
InChIKeyQZTDCFJGSLXUNZ-UHFFFAOYSA-N
XLogP-1.12
TPSA101.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-1.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-acetyl-2,4-dioxo-1H-pyrimidin-3-yl)-N-ethylacetamide?
The IUPAC name of 2-(5-acetyl-2,4-dioxo-1H-pyrimidin-3-yl)-N-ethylacetamide (CID 80642977) is 2-(5-acetyl-2,4-dioxo-1H-pyrimidin-3-yl)-N-ethylacetamide.
What is the SMILES notation for 2-(5-acetyl-2,4-dioxo-1H-pyrimidin-3-yl)-N-ethylacetamide?
The canonical SMILES for 2-(5-acetyl-2,4-dioxo-1H-pyrimidin-3-yl)-N-ethylacetamide is CCNC(=O)Cn1c(=O)[nH]cc(C(C)=O)c1=O.
What is the InChIKey of 2-(5-acetyl-2,4-dioxo-1H-pyrimidin-3-yl)-N-ethylacetamide?
The InChIKey is QZTDCFJGSLXUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c1-3-11-8(15)5-13-9(16)7(6(2)14)4-12-10(13)17/h4H,3,5H2,1-2H3,(H,11,15)(H,12,17).
What are the key properties of 2-(5-acetyl-2,4-dioxo-1H-pyrimidin-3-yl)-N-ethylacetamide?
2-(5-acetyl-2,4-dioxo-1H-pyrimidin-3-yl)-N-ethylacetamide has a molecular weight of 239.23 g/mol, XLogP of -1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetyl-2,4-dioxo-1H-pyrimidin-3-yl)-N-ethylacetamide is sourced from PubChem (CID 80642977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).