2-(2,6-dioxo-3-propylpyrimidin-1-yl)-N-(oxan-4-yl)acetamide

C14H21N3O4 — CID 63810941

IUPAC2-(2,6-dioxo-3-propylpyrimidin-1-yl)-N-(oxan-4-yl)acetamide
SMILESCCCn1ccc(=O)n(CC(=O)NC2CCOCC2)c1=O
InChIInChI=1S/C14H21N3O4/c1-2-6-16-7-3-13(19)17(14(16)20)10-12(18)15-11-4-8-21-9-5-11/h3,7,11H,2,4-6,8-10H2,1H3,(H,15,18)
InChIKeyRMSNOZCYZFASLE-UHFFFAOYSA-N
MW295.34 g/mol
LogP-0.28
Rot. Bonds5

About 2-(2,6-dioxo-3-propylpyrimidin-1-yl)-N-(oxan-4-yl)acetamide

2-(2,6-dioxo-3-propylpyrimidin-1-yl)-N-(oxan-4-yl)acetamide (PubChem CID 63810941) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-(2,6-dioxo-3-propylpyrimidin-1-yl)-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-(2,6-dioxo-3-propylpyrimidin-1-yl)-N-(oxan-4-yl)acetamide
PubChem CID63810941
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name2-(2,6-dioxo-3-propylpyrimidin-1-yl)-N-(oxan-4-yl)acetamide
SMILESCCCn1ccc(=O)n(CC(=O)NC2CCOCC2)c1=O
InChIInChI=1S/C14H21N3O4/c1-2-6-16-7-3-13(19)17(14(16)20)10-12(18)15-11-4-8-21-9-5-11/h3,7,11H,2,4-6,8-10H2,1H3,(H,15,18)
InChIKeyRMSNOZCYZFASLE-UHFFFAOYSA-N
XLogP-0.28
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(oxan-4-yl)acetamide
CID 63811876
3-[2-(oxan-4-ylamino)ethyl]-1-propylpyrimidine-2,4-dione
CID 63810576
2-(2,6-dioxo-3-propylpyrimidin-1-yl)-N-prop-2-ynylacetamide
CID 63812383
N-cyclohexyl-2-(2-oxo-3-propylimidazol-1-yl)acetamide
CID 116624888
ethyl 3-methyl-1-[2-(oxan-4-ylamino)-2-oxoethyl]pyrrole-2-carboxylate
CID 105421747
3-[2-(furan-2-yl)-2-oxoethyl]-1-propylpyrimidine-2,4-dione
CID 63799114
6-methyl-1-[2-(oxan-4-ylamino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid
CID 63098014
3-[3-(cyclopentylamino)propyl]-1-propylpyrimidine-2,4-dione
CID 63812191
2-(5-methylindol-1-yl)-N-(oxan-4-yl)acetamide
CID 116622948
3-(2-oxo-3-phenylpropyl)-1-propylpyrimidine-2,4-dione
CID 63800154
N-(oxan-4-yl)-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide
CID 75500278
2-(3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(2-methylpropyl)acetamide
CID 60735082

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxo-3-propylpyrimidin-1-yl)-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-(2,6-dioxo-3-propylpyrimidin-1-yl)-N-(oxan-4-yl)acetamide (CID 63810941) is 2-(2,6-dioxo-3-propylpyrimidin-1-yl)-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-(2,6-dioxo-3-propylpyrimidin-1-yl)-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-(2,6-dioxo-3-propylpyrimidin-1-yl)-N-(oxan-4-yl)acetamide is CCCn1ccc(=O)n(CC(=O)NC2CCOCC2)c1=O.
What is the InChIKey of 2-(2,6-dioxo-3-propylpyrimidin-1-yl)-N-(oxan-4-yl)acetamide?
The InChIKey is RMSNOZCYZFASLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-2-6-16-7-3-13(19)17(14(16)20)10-12(18)15-11-4-8-21-9-5-11/h3,7,11H,2,4-6,8-10H2,1H3,(H,15,18).
What are the key properties of 2-(2,6-dioxo-3-propylpyrimidin-1-yl)-N-(oxan-4-yl)acetamide?
2-(2,6-dioxo-3-propylpyrimidin-1-yl)-N-(oxan-4-yl)acetamide has a molecular weight of 295.34 g/mol, XLogP of -0.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxo-3-propylpyrimidin-1-yl)-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 63810941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).