2-cyclopentyl-N-[2-(6-oxopyrimidin-1-yl)ethyl]acetamide

C13H19N3O2 — CID 121121461

IUPAC2-cyclopentyl-N-[2-(6-oxopyrimidin-1-yl)ethyl]acetamide
SMILESO=C(CC1CCCC1)NCCn1cnccc1=O
InChIInChI=1S/C13H19N3O2/c17-12(9-11-3-1-2-4-11)15-7-8-16-10-14-6-5-13(16)18/h5-6,10-11H,1-4,7-9H2,(H,15,17)
InChIKeyQYBUWMMCORJGIJ-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.94
Rot. Bonds5

About 2-cyclopentyl-N-[2-(6-oxopyrimidin-1-yl)ethyl]acetamide

2-cyclopentyl-N-[2-(6-oxopyrimidin-1-yl)ethyl]acetamide (PubChem CID 121121461) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-cyclopentyl-N-[2-(6-oxopyrimidin-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[2-(6-oxopyrimidin-1-yl)ethyl]acetamide
PubChem CID121121461
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-cyclopentyl-N-[2-(6-oxopyrimidin-1-yl)ethyl]acetamide
SMILESO=C(CC1CCCC1)NCCn1cnccc1=O
InChIInChI=1S/C13H19N3O2/c17-12(9-11-3-1-2-4-11)15-7-8-16-10-14-6-5-13(16)18/h5-6,10-11H,1-4,7-9H2,(H,15,17)
InChIKeyQYBUWMMCORJGIJ-UHFFFAOYSA-N
XLogP0.94
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[2-(6-oxopyrimidin-1-yl)ethyl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[2-(6-oxopyrimidin-1-yl)ethyl]acetamide (CID 121121461) is 2-cyclopentyl-N-[2-(6-oxopyrimidin-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[2-(6-oxopyrimidin-1-yl)ethyl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[2-(6-oxopyrimidin-1-yl)ethyl]acetamide is O=C(CC1CCCC1)NCCn1cnccc1=O.
What is the InChIKey of 2-cyclopentyl-N-[2-(6-oxopyrimidin-1-yl)ethyl]acetamide?
The InChIKey is QYBUWMMCORJGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c17-12(9-11-3-1-2-4-11)15-7-8-16-10-14-6-5-13(16)18/h5-6,10-11H,1-4,7-9H2,(H,15,17).
What are the key properties of 2-cyclopentyl-N-[2-(6-oxopyrimidin-1-yl)ethyl]acetamide?
2-cyclopentyl-N-[2-(6-oxopyrimidin-1-yl)ethyl]acetamide has a molecular weight of 249.31 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[2-(6-oxopyrimidin-1-yl)ethyl]acetamide is sourced from PubChem (CID 121121461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).