2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-phenylacetamide

C14H15N3OS — CID 665238

IUPAC2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-phenylacetamide
SMILESCc1cc(SCC(=O)Nc2ccccc2)nc(C)n1
InChIInChI=1S/C14H15N3OS/c1-10-8-14(16-11(2)15-10)19-9-13(18)17-12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H,17,18)
InChIKeyWYWUZVXNFJIOET-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.82
Rot. Bonds4

About 2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-phenylacetamide

2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-phenylacetamide (PubChem CID 665238) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is 2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-phenylacetamide.

Molecular Properties

Compound Name2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-phenylacetamide
PubChem CID665238
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Name2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-phenylacetamide
SMILESCc1cc(SCC(=O)Nc2ccccc2)nc(C)n1
InChIInChI=1S/C14H15N3OS/c1-10-8-14(16-11(2)15-10)19-9-13(18)17-12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H,17,18)
InChIKeyWYWUZVXNFJIOET-UHFFFAOYSA-N
XLogP2.82
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-phenylacetamide?
The IUPAC name of 2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-phenylacetamide (CID 665238) is 2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-phenylacetamide.
What is the SMILES notation for 2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-phenylacetamide?
The canonical SMILES for 2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-phenylacetamide is Cc1cc(SCC(=O)Nc2ccccc2)nc(C)n1.
What is the InChIKey of 2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-phenylacetamide?
The InChIKey is WYWUZVXNFJIOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c1-10-8-14(16-11(2)15-10)19-9-13(18)17-12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H,17,18).
What are the key properties of 2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-phenylacetamide?
2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-phenylacetamide has a molecular weight of 273.36 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-phenylacetamide is sourced from PubChem (CID 665238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).