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

C11H17N3O3 — CID 2150008

IUPAC2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-pentylacetamide
SMILESCCCCCNC(=O)Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C11H17N3O3/c1-2-3-4-5-12-9(15)6-8-7-10(16)14-11(17)13-8/h7H,2-6H2,1H3,(H,12,15)(H2,13,14,16,17)
InChIKeyQUKNYSUVSGEPCG-UHFFFAOYSA-N
MW239.27 g/mol
LogP-0.09
Rot. Bonds6

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

2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-pentylacetamide (PubChem CID 2150008) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-pentylacetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-pentylacetamide
PubChem CID2150008
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-pentylacetamide
SMILESCCCCCNC(=O)Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C11H17N3O3/c1-2-3-4-5-12-9(15)6-8-7-10(16)14-11(17)13-8/h7H,2-6H2,1H3,(H,12,15)(H2,13,14,16,17)
InChIKeyQUKNYSUVSGEPCG-UHFFFAOYSA-N
XLogP-0.09
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-pentylacetamide?
The IUPAC name of 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-pentylacetamide (CID 2150008) is 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-pentylacetamide.
What is the SMILES notation for 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-pentylacetamide?
The canonical SMILES for 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-pentylacetamide is CCCCCNC(=O)Cc1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-pentylacetamide?
The InChIKey is QUKNYSUVSGEPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-2-3-4-5-12-9(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-pentylacetamide?
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-pentylacetamide has a molecular weight of 239.27 g/mol, XLogP of -0.09, 6 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-pentylacetamide is sourced from PubChem (CID 2150008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).