N-ethyl-2-pyrimidin-2-ylsulfanylacetamide

C8H11N3OS — CID 39082382

IUPACN-ethyl-2-pyrimidin-2-ylsulfanylacetamide
SMILESCCNC(=O)CSc1ncccn1
InChIInChI=1S/C8H11N3OS/c1-2-9-7(12)6-13-8-10-4-3-5-11-8/h3-5H,2,6H2,1H3,(H,9,12)
InChIKeyIGQWDQOLHCGPDK-UHFFFAOYSA-N
MW197.26 g/mol
LogP0.70
Rot. Bonds4

About N-ethyl-2-pyrimidin-2-ylsulfanylacetamide

N-ethyl-2-pyrimidin-2-ylsulfanylacetamide (PubChem CID 39082382) has the molecular formula C8H11N3OS and a molecular weight of 197.26 g/mol. Its IUPAC name is N-ethyl-2-pyrimidin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-ethyl-2-pyrimidin-2-ylsulfanylacetamide
PubChem CID39082382
Molecular FormulaC8H11N3OS
Molecular Weight197.26 g/mol
Exact Mass197.06
IUPAC NameN-ethyl-2-pyrimidin-2-ylsulfanylacetamide
SMILESCCNC(=O)CSc1ncccn1
InChIInChI=1S/C8H11N3OS/c1-2-9-7(12)6-13-8-10-4-3-5-11-8/h3-5H,2,6H2,1H3,(H,9,12)
InChIKeyIGQWDQOLHCGPDK-UHFFFAOYSA-N
XLogP0.70
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-pyrimidin-2-ylsulfanylacetamide
CID 21061194
N,N-dimethyl-2-[(2-pyrimidin-2-ylsulfanylacetyl)amino]acetamide
CID 9202418
N-[2-(dimethylamino)ethyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 39082404
N-(2-phenylethyl)-2-pyrimidin-2-ylsulfanylacetamide
CID 846435
(2S)-2-amino-3-[(2-pyrimidin-2-ylsulfanylacetyl)amino]propanoic acid
CID 70134863
N-(2-methoxyethylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide
CID 2651102
N-[2-(4-tert-butylphenoxy)ethyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 9202382
N-[2-(2-fluorophenyl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 9202409
N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-pyrimidin-2-ylsulfanylacetamide
CID 47057295
N-(4-butoxyphenyl)-2-pyrimidin-2-ylsulfanylacetamide
CID 2175554
4-[2-(ethylamino)-2-oxoethyl]sulfanylpyridine-2-carboxylic acid
CID 79554887
N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 121121310

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-pyrimidin-2-ylsulfanylacetamide?
The IUPAC name of N-ethyl-2-pyrimidin-2-ylsulfanylacetamide (CID 39082382) is N-ethyl-2-pyrimidin-2-ylsulfanylacetamide.
What is the SMILES notation for N-ethyl-2-pyrimidin-2-ylsulfanylacetamide?
The canonical SMILES for N-ethyl-2-pyrimidin-2-ylsulfanylacetamide is CCNC(=O)CSc1ncccn1.
What is the InChIKey of N-ethyl-2-pyrimidin-2-ylsulfanylacetamide?
The InChIKey is IGQWDQOLHCGPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3OS/c1-2-9-7(12)6-13-8-10-4-3-5-11-8/h3-5H,2,6H2,1H3,(H,9,12).
What are the key properties of N-ethyl-2-pyrimidin-2-ylsulfanylacetamide?
N-ethyl-2-pyrimidin-2-ylsulfanylacetamide has a molecular weight of 197.26 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-pyrimidin-2-ylsulfanylacetamide is sourced from PubChem (CID 39082382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).