2-(3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(oxan-4-yl)acetamide

C13H19N3O4 — CID 63811876

IUPAC2-(3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(oxan-4-yl)acetamide
SMILESCCn1ccc(=O)n(CC(=O)NC2CCOCC2)c1=O
InChIInChI=1S/C13H19N3O4/c1-2-15-6-3-12(18)16(13(15)19)9-11(17)14-10-4-7-20-8-5-10/h3,6,10H,2,4-5,7-9H2,1H3,(H,14,17)
InChIKeyJIGKWBQZXZTDSQ-UHFFFAOYSA-N
MW281.31 g/mol
LogP-0.67
Rot. Bonds4

About 2-(3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(oxan-4-yl)acetamide

2-(3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(oxan-4-yl)acetamide (PubChem CID 63811876) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-(3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-(3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(oxan-4-yl)acetamide
PubChem CID63811876
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name2-(3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(oxan-4-yl)acetamide
SMILESCCn1ccc(=O)n(CC(=O)NC2CCOCC2)c1=O
InChIInChI=1S/C13H19N3O4/c1-2-15-6-3-12(18)16(13(15)19)9-11(17)14-10-4-7-20-8-5-10/h3,6,10H,2,4-5,7-9H2,1H3,(H,14,17)
InChIKeyJIGKWBQZXZTDSQ-UHFFFAOYSA-N
XLogP-0.67
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,6-dioxo-3-propylpyrimidin-1-yl)-N-(oxan-4-yl)acetamide
CID 63810941
2-(3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(2-methylpropyl)acetamide
CID 60735082
6-methyl-1-[2-(oxan-4-ylamino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid
CID 63098014
3-[2-(oxan-4-ylamino)ethyl]-1-propylpyrimidine-2,4-dione
CID 63810576
ethyl 3-methyl-1-[2-(oxan-4-ylamino)-2-oxoethyl]pyrrole-2-carboxylate
CID 105421747
2-(5-methylindol-1-yl)-N-(oxan-4-yl)acetamide
CID 116622948
N-(oxan-4-yl)-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide
CID 75500278
N-cyclopropyl-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 17445359
2-(2-ethylbenzimidazol-1-yl)-N-(oxan-4-yl)acetamide
CID 115588669
2-(3-chloro-2-oxopyrazin-1-yl)-N-(oxan-4-yl)acetamide
CID 114561538
2-[6-(hydroxymethyl)indol-1-yl]-N-(oxan-4-yl)acetamide
CID 102913062
2-(5-bromo-2,4-dioxo-1H-pyrimidin-3-yl)-N-(oxan-4-yl)acetamide
CID 107104248

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-(3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(oxan-4-yl)acetamide (CID 63811876) is 2-(3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-(3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-(3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(oxan-4-yl)acetamide is CCn1ccc(=O)n(CC(=O)NC2CCOCC2)c1=O.
What is the InChIKey of 2-(3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(oxan-4-yl)acetamide?
The InChIKey is JIGKWBQZXZTDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-2-15-6-3-12(18)16(13(15)19)9-11(17)14-10-4-7-20-8-5-10/h3,6,10H,2,4-5,7-9H2,1H3,(H,14,17).
What are the key properties of 2-(3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(oxan-4-yl)acetamide?
2-(3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(oxan-4-yl)acetamide has a molecular weight of 281.31 g/mol, XLogP of -0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 63811876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).