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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Related Compounds

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-phenylsulfanylphenyl)ethanamide
CID 134433738
3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-fluorophenyl)propanamide
CID 851324
N-(4-Chloro-6-((1-methylethyl)thio)-2-pyrimidinyl)-N'-phenylurea
CID 1484523
CID 3221482
CID 3221482
2-(2-amino-5-cyano-6-methylsulfanylpyrimidin-4-yl)sulfanyl-N-(3-fluorophenyl)acetamide
CID 1611923
N-2,6-dithiophen-2-yl)pyrimidin-4-yl)acetamide
CID 50940965
4-((4,6-Dimethylpyrimidin-2-yl)thio)aniline
CID 2737477
3-[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]-N-(2-methylphenyl)propanamide
CID 851325
N-(4,6-dimethylpyrimidin-2-yl)-2-pyridin-2-ylsulfanylacetamide
CID 888679
N-(2,4-Dichloro-phenyl)-2-(6-methyl-2-methylsulfanyl-pyrimidin-4-ylsulfanyl)-acetamide
CID 1095831
N-[4-(tert-butylsulfamoyl)phenyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 1249019
2-(2-Benzyl-quinazolin-4-ylsulfanyl)-N-tert-butyl-acetamide
CID 1442488

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).