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

C14H14FN3OS — CID 742076

IUPAC2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide
SMILESCc1cc(C)nc(SCC(=O)Nc2ccccc2F)n1
InChIInChI=1S/C14H14FN3OS/c1-9-7-10(2)17-14(16-9)20-8-13(19)18-12-6-4-3-5-11(12)15/h3-7H,8H2,1-2H3,(H,18,19)
InChIKeyRXCXEFUORWTQIM-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.96
Rot. Bonds4

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

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide (PubChem CID 742076) has the molecular formula C14H14FN3OS and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide
PubChem CID742076
Molecular FormulaC14H14FN3OS
Molecular Weight291.35 g/mol
Exact Mass291.08
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide
SMILESCc1cc(C)nc(SCC(=O)Nc2ccccc2F)n1
InChIInChI=1S/C14H14FN3OS/c1-9-7-10(2)17-14(16-9)20-8-13(19)18-12-6-4-3-5-11(12)15/h3-7H,8H2,1-2H3,(H,18,19)
InChIKeyRXCXEFUORWTQIM-UHFFFAOYSA-N
XLogP2.96
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.96
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-fluorophenyl)acetamide?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide (CID 742076) is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide is Cc1cc(C)nc(SCC(=O)Nc2ccccc2F)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide?
The InChIKey is RXCXEFUORWTQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3OS/c1-9-7-10(2)17-14(16-9)20-8-13(19)18-12-6-4-3-5-11(12)15/h3-7H,8H2,1-2H3,(H,18,19).
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide?
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide has a molecular weight of 291.35 g/mol, XLogP of 2.96, 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-fluorophenyl)acetamide is sourced from PubChem (CID 742076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).