2-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-propylacetamide

C10H15N3O3 — CID 47085194

IUPAC2-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-propylacetamide
SMILESCCCN(C)C(=O)Cn1ccc(=O)[nH]c1=O
InChIInChI=1S/C10H15N3O3/c1-3-5-12(2)9(15)7-13-6-4-8(14)11-10(13)16/h4,6H,3,5,7H2,1-2H3,(H,11,14,16)
InChIKeyIJVVAJZUEAOQMO-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.60
Rot. Bonds4

About 2-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-propylacetamide

2-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-propylacetamide (PubChem CID 47085194) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-propylacetamide.

Molecular Properties

Compound Name2-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-propylacetamide
PubChem CID47085194
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name2-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-propylacetamide
SMILESCCCN(C)C(=O)Cn1ccc(=O)[nH]c1=O
InChIInChI=1S/C10H15N3O3/c1-3-5-12(2)9(15)7-13-6-4-8(14)11-10(13)16/h4,6H,3,5,7H2,1-2H3,(H,11,14,16)
InChIKeyIJVVAJZUEAOQMO-UHFFFAOYSA-N
XLogP-0.60
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-propylacetamide?
The IUPAC name of 2-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-propylacetamide (CID 47085194) is 2-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-propylacetamide.
What is the SMILES notation for 2-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-propylacetamide?
The canonical SMILES for 2-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-propylacetamide is CCCN(C)C(=O)Cn1ccc(=O)[nH]c1=O.
What is the InChIKey of 2-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-propylacetamide?
The InChIKey is IJVVAJZUEAOQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-3-5-12(2)9(15)7-13-6-4-8(14)11-10(13)16/h4,6H,3,5,7H2,1-2H3,(H,11,14,16).
What are the key properties of 2-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-propylacetamide?
2-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-propylacetamide has a molecular weight of 225.25 g/mol, XLogP of -0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-propylacetamide is sourced from PubChem (CID 47085194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).