2-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide

C8H11N3O2S — CID 135561511

IUPAC2-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCCc1cc(=O)[nH]c(SCC(N)=O)n1
InChIInChI=1S/C8H11N3O2S/c1-2-5-3-7(13)11-8(10-5)14-4-6(9)12/h3H,2,4H2,1H3,(H2,9,12)(H,10,11,13)
InChIKeyRTIJGQFBEMEDKD-UHFFFAOYSA-N
MW213.26 g/mol
LogP-0.09
Rot. Bonds4

About 2-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide

2-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide (PubChem CID 135561511) has the molecular formula C8H11N3O2S and a molecular weight of 213.26 g/mol. Its IUPAC name is 2-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound Name2-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
PubChem CID135561511
Molecular FormulaC8H11N3O2S
Molecular Weight213.26 g/mol
Exact Mass213.06
IUPAC Name2-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCCc1cc(=O)[nH]c(SCC(N)=O)n1
InChIInChI=1S/C8H11N3O2S/c1-2-5-3-7(13)11-8(10-5)14-4-6(9)12/h3H,2,4H2,1H3,(H2,9,12)(H,10,11,13)
InChIKeyRTIJGQFBEMEDKD-UHFFFAOYSA-N
XLogP-0.09
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The IUPAC name of 2-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide (CID 135561511) is 2-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for 2-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The canonical SMILES for 2-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide is CCc1cc(=O)[nH]c(SCC(N)=O)n1.
What is the InChIKey of 2-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The InChIKey is RTIJGQFBEMEDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2S/c1-2-5-3-7(13)11-8(10-5)14-4-6(9)12/h3H,2,4H2,1H3,(H2,9,12)(H,10,11,13).
What are the key properties of 2-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
2-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide has a molecular weight of 213.26 g/mol, XLogP of -0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 135561511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).