3-ethoxy-N-(4-methylpyrimidin-2-yl)propanamide

C10H15N3O2 — CID 25239828

IUPAC3-ethoxy-N-(4-methylpyrimidin-2-yl)propanamide
SMILESCCOCCC(=O)Nc1nccc(C)n1
InChIInChI=1S/C10H15N3O2/c1-3-15-7-5-9(14)13-10-11-6-4-8(2)12-10/h4,6H,3,5,7H2,1-2H3,(H,11,12,13,14)
InChIKeyKGDSIHLOQDVKIR-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.15
Rot. Bonds5

About 3-ethoxy-N-(4-methylpyrimidin-2-yl)propanamide

3-ethoxy-N-(4-methylpyrimidin-2-yl)propanamide (PubChem CID 25239828) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 3-ethoxy-N-(4-methylpyrimidin-2-yl)propanamide.

Molecular Properties

Compound Name3-ethoxy-N-(4-methylpyrimidin-2-yl)propanamide
PubChem CID25239828
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name3-ethoxy-N-(4-methylpyrimidin-2-yl)propanamide
SMILESCCOCCC(=O)Nc1nccc(C)n1
InChIInChI=1S/C10H15N3O2/c1-3-15-7-5-9(14)13-10-11-6-4-8(2)12-10/h4,6H,3,5,7H2,1-2H3,(H,11,12,13,14)
InChIKeyKGDSIHLOQDVKIR-UHFFFAOYSA-N
XLogP1.15
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.15
H-Bond Donors ≤ 51
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 3-ethoxy-N-(4-methylpyrimidin-2-yl)propanamide?
The IUPAC name of 3-ethoxy-N-(4-methylpyrimidin-2-yl)propanamide (CID 25239828) is 3-ethoxy-N-(4-methylpyrimidin-2-yl)propanamide.
What is the SMILES notation for 3-ethoxy-N-(4-methylpyrimidin-2-yl)propanamide?
The canonical SMILES for 3-ethoxy-N-(4-methylpyrimidin-2-yl)propanamide is CCOCCC(=O)Nc1nccc(C)n1.
What is the InChIKey of 3-ethoxy-N-(4-methylpyrimidin-2-yl)propanamide?
The InChIKey is KGDSIHLOQDVKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-3-15-7-5-9(14)13-10-11-6-4-8(2)12-10/h4,6H,3,5,7H2,1-2H3,(H,11,12,13,14).
What are the key properties of 3-ethoxy-N-(4-methylpyrimidin-2-yl)propanamide?
3-ethoxy-N-(4-methylpyrimidin-2-yl)propanamide has a molecular weight of 209.25 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(4-methylpyrimidin-2-yl)propanamide is sourced from PubChem (CID 25239828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).