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

C15H23N3OS — CID 24982447

IUPAC2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methylcyclohexyl)acetamide
SMILESCc1cc(C)nc(SCC(=O)NC2CCCCC2C)n1
InChIInChI=1S/C15H23N3OS/c1-10-6-4-5-7-13(10)18-14(19)9-20-15-16-11(2)8-12(3)17-15/h8,10,13H,4-7,9H2,1-3H3,(H,18,19)
InChIKeyQHHYJLXYVZFTEC-UHFFFAOYSA-N
MW293.44 g/mol
LogP2.88
Rot. Bonds4

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

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methylcyclohexyl)acetamide (PubChem CID 24982447) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methylcyclohexyl)acetamide
PubChem CID24982447
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methylcyclohexyl)acetamide
SMILESCc1cc(C)nc(SCC(=O)NC2CCCCC2C)n1
InChIInChI=1S/C15H23N3OS/c1-10-6-4-5-7-13(10)18-14(19)9-20-15-16-11(2)8-12(3)17-15/h8,10,13H,4-7,9H2,1-3H3,(H,18,19)
InChIKeyQHHYJLXYVZFTEC-UHFFFAOYSA-N
XLogP2.88
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 52.88
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)sulfanyl-N-(2-methylcyclohexyl)acetamide?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methylcyclohexyl)acetamide (CID 24982447) is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methylcyclohexyl)acetamide?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methylcyclohexyl)acetamide is Cc1cc(C)nc(SCC(=O)NC2CCCCC2C)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methylcyclohexyl)acetamide?
The InChIKey is QHHYJLXYVZFTEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-10-6-4-5-7-13(10)18-14(19)9-20-15-16-11(2)8-12(3)17-15/h8,10,13H,4-7,9H2,1-3H3,(H,18,19).
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methylcyclohexyl)acetamide?
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methylcyclohexyl)acetamide has a molecular weight of 293.44 g/mol, XLogP of 2.88, 4 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)sulfanyl-N-(2-methylcyclohexyl)acetamide is sourced from PubChem (CID 24982447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).