2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide

C8H11N3OS — CID 840853

IUPAC2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
SMILESCc1cc(C)nc(SCC(N)=O)n1
InChIInChI=1S/C8H11N3OS/c1-5-3-6(2)11-8(10-5)13-4-7(9)12/h3H,4H2,1-2H3,(H2,9,12)
InChIKeyCYWIRZGTWFPTMH-UHFFFAOYSA-N
MW197.26 g/mol
LogP0.67
Rot. Bonds3

About 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide

2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide (PubChem CID 840853) has the molecular formula C8H11N3OS and a molecular weight of 197.26 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
PubChem CID840853
Molecular FormulaC8H11N3OS
Molecular Weight197.26 g/mol
Exact Mass197.06
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
SMILESCc1cc(C)nc(SCC(N)=O)n1
InChIInChI=1S/C8H11N3OS/c1-5-3-6(2)11-8(10-5)13-4-7(9)12/h3H,4H2,1-2H3,(H2,9,12)
InChIKeyCYWIRZGTWFPTMH-UHFFFAOYSA-N
XLogP0.67
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide (CID 840853) is 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide is Cc1cc(C)nc(SCC(N)=O)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide?
The InChIKey is CYWIRZGTWFPTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3OS/c1-5-3-6(2)11-8(10-5)13-4-7(9)12/h3H,4H2,1-2H3,(H2,9,12).
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide?
2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide has a molecular weight of 197.26 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 840853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).