2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-ethylacetamide

C8H11N3O3 — CID 60704693

IUPAC2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-ethylacetamide
SMILESCCNC(=O)Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C8H11N3O3/c1-2-9-6(12)3-5-4-7(13)11-8(14)10-5/h4H,2-3H2,1H3,(H,9,12)(H2,10,11,13,14)
InChIKeyOQMOJQXMFOLECZ-UHFFFAOYSA-N
MW197.19 g/mol
LogP-1.26
Rot. Bonds3

About 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-ethylacetamide

2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-ethylacetamide (PubChem CID 60704693) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-ethylacetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-ethylacetamide
PubChem CID60704693
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-ethylacetamide
SMILESCCNC(=O)Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C8H11N3O3/c1-2-9-6(12)3-5-4-7(13)11-8(14)10-5/h4H,2-3H2,1H3,(H,9,12)(H2,10,11,13,14)
InChIKeyOQMOJQXMFOLECZ-UHFFFAOYSA-N
XLogP-1.26
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-1.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-ethylacetamide?
The IUPAC name of 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-ethylacetamide (CID 60704693) is 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-ethylacetamide.
What is the SMILES notation for 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-ethylacetamide?
The canonical SMILES for 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-ethylacetamide is CCNC(=O)Cc1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-ethylacetamide?
The InChIKey is OQMOJQXMFOLECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-2-9-6(12)3-5-4-7(13)11-8(14)10-5/h4H,2-3H2,1H3,(H,9,12)(H2,10,11,13,14).
What are the key properties of 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-ethylacetamide?
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-ethylacetamide has a molecular weight of 197.19 g/mol, XLogP of -1.26, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-ethylacetamide is sourced from PubChem (CID 60704693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).