2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3-ethoxypropyl)acetamide

C11H17N3O4 — CID 2149971

IUPAC2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3-ethoxypropyl)acetamide
SMILESCCOCCCNC(=O)Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C11H17N3O4/c1-2-18-5-3-4-12-9(15)6-8-7-10(16)14-11(17)13-8/h7H,2-6H2,1H3,(H,12,15)(H2,13,14,16,17)
InChIKeyOEZHHXISYDPCAE-UHFFFAOYSA-N
MW255.27 g/mol
LogP-0.85
Rot. Bonds7

About 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3-ethoxypropyl)acetamide

2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3-ethoxypropyl)acetamide (PubChem CID 2149971) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3-ethoxypropyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3-ethoxypropyl)acetamide
PubChem CID2149971
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3-ethoxypropyl)acetamide
SMILESCCOCCCNC(=O)Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C11H17N3O4/c1-2-18-5-3-4-12-9(15)6-8-7-10(16)14-11(17)13-8/h7H,2-6H2,1H3,(H,12,15)(H2,13,14,16,17)
InChIKeyOEZHHXISYDPCAE-UHFFFAOYSA-N
XLogP-0.85
TPSA104.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 5-0.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3-ethoxypropyl)acetamide?
The IUPAC name of 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3-ethoxypropyl)acetamide (CID 2149971) is 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3-ethoxypropyl)acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3-ethoxypropyl)acetamide?
The canonical SMILES for 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3-ethoxypropyl)acetamide is CCOCCCNC(=O)Cc1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3-ethoxypropyl)acetamide?
The InChIKey is OEZHHXISYDPCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-2-18-5-3-4-12-9(15)6-8-7-10(16)14-11(17)13-8/h7H,2-6H2,1H3,(H,12,15)(H2,13,14,16,17).
What are the key properties of 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3-ethoxypropyl)acetamide?
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3-ethoxypropyl)acetamide has a molecular weight of 255.27 g/mol, XLogP of -0.85, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3-ethoxypropyl)acetamide is sourced from PubChem (CID 2149971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).