2-(5-bromo-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-methylacetamide

C9H12BrN3OS — CID 130655194

IUPAC2-(5-bromo-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-methylacetamide
SMILESCNC(=O)CSc1nc(C)nc(C)c1Br
InChIInChI=1S/C9H12BrN3OS/c1-5-8(10)9(13-6(2)12-5)15-4-7(14)11-3/h4H2,1-3H3,(H,11,14)
InChIKeyJLXGRKKQSIFPPM-UHFFFAOYSA-N
MW290.19 g/mol
LogP1.69
Rot. Bonds3

About 2-(5-bromo-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-methylacetamide

2-(5-bromo-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-methylacetamide (PubChem CID 130655194) has the molecular formula C9H12BrN3OS and a molecular weight of 290.19 g/mol. Its IUPAC name is 2-(5-bromo-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-methylacetamide.

Molecular Properties

Compound Name2-(5-bromo-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-methylacetamide
PubChem CID130655194
Molecular FormulaC9H12BrN3OS
Molecular Weight290.19 g/mol
Exact Mass288.99
IUPAC Name2-(5-bromo-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-methylacetamide
SMILESCNC(=O)CSc1nc(C)nc(C)c1Br
InChIInChI=1S/C9H12BrN3OS/c1-5-8(10)9(13-6(2)12-5)15-4-7(14)11-3/h4H2,1-3H3,(H,11,14)
InChIKeyJLXGRKKQSIFPPM-UHFFFAOYSA-N
XLogP1.69
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.19
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-methylacetamide?
The IUPAC name of 2-(5-bromo-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-methylacetamide (CID 130655194) is 2-(5-bromo-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-methylacetamide.
What is the SMILES notation for 2-(5-bromo-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-methylacetamide?
The canonical SMILES for 2-(5-bromo-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-methylacetamide is CNC(=O)CSc1nc(C)nc(C)c1Br.
What is the InChIKey of 2-(5-bromo-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-methylacetamide?
The InChIKey is JLXGRKKQSIFPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3OS/c1-5-8(10)9(13-6(2)12-5)15-4-7(14)11-3/h4H2,1-3H3,(H,11,14).
What are the key properties of 2-(5-bromo-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-methylacetamide?
2-(5-bromo-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-methylacetamide has a molecular weight of 290.19 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-methylacetamide is sourced from PubChem (CID 130655194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).