2-ethoxy-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]acetamide

C13H17N5O2 — CID 90588824

IUPAC2-ethoxy-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]acetamide
SMILESCCOCC(=O)NCCn1ccnc1-c1ncccn1
InChIInChI=1S/C13H17N5O2/c1-2-20-10-11(19)14-6-8-18-9-7-17-13(18)12-15-4-3-5-16-12/h3-5,7,9H,2,6,8,10H2,1H3,(H,14,19)
InChIKeyXXEOXMKCHAWMPH-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.49
Rot. Bonds7

About 2-ethoxy-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]acetamide

2-ethoxy-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]acetamide (PubChem CID 90588824) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-ethoxy-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-ethoxy-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]acetamide
PubChem CID90588824
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name2-ethoxy-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]acetamide
SMILESCCOCC(=O)NCCn1ccnc1-c1ncccn1
InChIInChI=1S/C13H17N5O2/c1-2-20-10-11(19)14-6-8-18-9-7-17-13(18)12-15-4-3-5-16-12/h3-5,7,9H,2,6,8,10H2,1H3,(H,14,19)
InChIKeyXXEOXMKCHAWMPH-UHFFFAOYSA-N
XLogP0.49
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]acetamide?
The IUPAC name of 2-ethoxy-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]acetamide (CID 90588824) is 2-ethoxy-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-ethoxy-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]acetamide?
The canonical SMILES for 2-ethoxy-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]acetamide is CCOCC(=O)NCCn1ccnc1-c1ncccn1.
What is the InChIKey of 2-ethoxy-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]acetamide?
The InChIKey is XXEOXMKCHAWMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-2-20-10-11(19)14-6-8-18-9-7-17-13(18)12-15-4-3-5-16-12/h3-5,7,9H,2,6,8,10H2,1H3,(H,14,19).
What are the key properties of 2-ethoxy-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]acetamide?
2-ethoxy-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]acetamide has a molecular weight of 275.31 g/mol, XLogP of 0.49, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]acetamide is sourced from PubChem (CID 90588824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).