N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]acetamide

C8H11N3O2 — CID 129301502

IUPACN-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]acetamide
SMILESCC(=O)NCCc1cnc(=O)[nH]c1
InChIInChI=1S/C8H11N3O2/c1-6(12)9-3-2-7-4-10-8(13)11-5-7/h4-5H,2-3H2,1H3,(H,9,12)(H,10,11,13)
InChIKeyNCJVFUNHNYUGOM-UHFFFAOYSA-N
MW181.20 g/mol
LogP-0.55
Rot. Bonds3

About N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]acetamide

N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]acetamide (PubChem CID 129301502) has the molecular formula C8H11N3O2 and a molecular weight of 181.20 g/mol. Its IUPAC name is N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]acetamide
PubChem CID129301502
Molecular FormulaC8H11N3O2
Molecular Weight181.20 g/mol
Exact Mass181.09
IUPAC NameN-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]acetamide
SMILESCC(=O)NCCc1cnc(=O)[nH]c1
InChIInChI=1S/C8H11N3O2/c1-6(12)9-3-2-7-4-10-8(13)11-5-7/h4-5H,2-3H2,1H3,(H,9,12)(H,10,11,13)
InChIKeyNCJVFUNHNYUGOM-UHFFFAOYSA-N
XLogP-0.55
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]acetamide?
The IUPAC name of N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]acetamide (CID 129301502) is N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]acetamide is CC(=O)NCCc1cnc(=O)[nH]c1.
What is the InChIKey of N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]acetamide?
The InChIKey is NCJVFUNHNYUGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-6(12)9-3-2-7-4-10-8(13)11-5-7/h4-5H,2-3H2,1H3,(H,9,12)(H,10,11,13).
What are the key properties of N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]acetamide?
N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]acetamide has a molecular weight of 181.20 g/mol, XLogP of -0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]acetamide is sourced from PubChem (CID 129301502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).