2-(5-ethylpyrimidin-2-yl)-N-methoxyacetamide

C9H13N3O2 — CID 88930816

IUPAC2-(5-ethylpyrimidin-2-yl)-N-methoxyacetamide
SMILESCCc1cnc(CC(=O)NOC)nc1
InChIInChI=1S/C9H13N3O2/c1-3-7-5-10-8(11-6-7)4-9(13)12-14-2/h5-6H,3-4H2,1-2H3,(H,12,13)
InChIKeyNZRGXJXEPGFBNH-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.26
Rot. Bonds4

About 2-(5-ethylpyrimidin-2-yl)-N-methoxyacetamide

2-(5-ethylpyrimidin-2-yl)-N-methoxyacetamide (PubChem CID 88930816) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-(5-ethylpyrimidin-2-yl)-N-methoxyacetamide.

Molecular Properties

Compound Name2-(5-ethylpyrimidin-2-yl)-N-methoxyacetamide
PubChem CID88930816
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name2-(5-ethylpyrimidin-2-yl)-N-methoxyacetamide
SMILESCCc1cnc(CC(=O)NOC)nc1
InChIInChI=1S/C9H13N3O2/c1-3-7-5-10-8(11-6-7)4-9(13)12-14-2/h5-6H,3-4H2,1-2H3,(H,12,13)
InChIKeyNZRGXJXEPGFBNH-UHFFFAOYSA-N
XLogP0.26
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-ethylpyrimidin-2-yl)-N-methoxyacetamide?
The IUPAC name of 2-(5-ethylpyrimidin-2-yl)-N-methoxyacetamide (CID 88930816) is 2-(5-ethylpyrimidin-2-yl)-N-methoxyacetamide.
What is the SMILES notation for 2-(5-ethylpyrimidin-2-yl)-N-methoxyacetamide?
The canonical SMILES for 2-(5-ethylpyrimidin-2-yl)-N-methoxyacetamide is CCc1cnc(CC(=O)NOC)nc1.
What is the InChIKey of 2-(5-ethylpyrimidin-2-yl)-N-methoxyacetamide?
The InChIKey is NZRGXJXEPGFBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-3-7-5-10-8(11-6-7)4-9(13)12-14-2/h5-6H,3-4H2,1-2H3,(H,12,13).
What are the key properties of 2-(5-ethylpyrimidin-2-yl)-N-methoxyacetamide?
2-(5-ethylpyrimidin-2-yl)-N-methoxyacetamide has a molecular weight of 195.22 g/mol, XLogP of 0.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethylpyrimidin-2-yl)-N-methoxyacetamide is sourced from PubChem (CID 88930816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).