2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(2-methylphenyl)acetamide

C15H17N3OS — CID 5169479

IUPAC2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(2-methylphenyl)acetamide
SMILESCc1cc(SCC(=O)Nc2ccccc2C)nc(C)n1
InChIInChI=1S/C15H17N3OS/c1-10-6-4-5-7-13(10)18-14(19)9-20-15-8-11(2)16-12(3)17-15/h4-8H,9H2,1-3H3,(H,18,19)
InChIKeyPRXHYUYDKGYOGN-UHFFFAOYSA-N
MW287.39 g/mol
LogP3.13
Rot. Bonds4

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

2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(2-methylphenyl)acetamide (PubChem CID 5169479) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is 2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(2-methylphenyl)acetamide
PubChem CID5169479
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(2-methylphenyl)acetamide
SMILESCc1cc(SCC(=O)Nc2ccccc2C)nc(C)n1
InChIInChI=1S/C15H17N3OS/c1-10-6-4-5-7-13(10)18-14(19)9-20-15-8-11(2)16-12(3)17-15/h4-8H,9H2,1-3H3,(H,18,19)
InChIKeyPRXHYUYDKGYOGN-UHFFFAOYSA-N
XLogP3.13
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 53.13
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-(2-methylphenyl)acetamide?
The IUPAC name of 2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(2-methylphenyl)acetamide (CID 5169479) is 2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(2-methylphenyl)acetamide is Cc1cc(SCC(=O)Nc2ccccc2C)nc(C)n1.
What is the InChIKey of 2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(2-methylphenyl)acetamide?
The InChIKey is PRXHYUYDKGYOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-10-6-4-5-7-13(10)18-14(19)9-20-15-8-11(2)16-12(3)17-15/h4-8H,9H2,1-3H3,(H,18,19).
What are the key properties of 2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(2-methylphenyl)acetamide?
2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(2-methylphenyl)acetamide has a molecular weight of 287.39 g/mol, XLogP of 3.13, 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-(2-methylphenyl)acetamide is sourced from PubChem (CID 5169479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).