2-fluoro-N-(2-methylsulfanyl-6-phenylpyrimidin-4-yl)acetamide

C13H12FN3OS — CID 142723892

IUPAC2-fluoro-N-(2-methylsulfanyl-6-phenylpyrimidin-4-yl)acetamide
SMILESCSc1nc(NC(=O)CF)cc(-c2ccccc2)n1
InChIInChI=1S/C13H12FN3OS/c1-19-13-15-10(9-5-3-2-4-6-9)7-11(17-13)16-12(18)8-14/h2-7H,8H2,1H3,(H,15,16,17,18)
InChIKeyUIPBOAPPNXJIAR-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.77
Rot. Bonds4

About 2-fluoro-N-(2-methylsulfanyl-6-phenylpyrimidin-4-yl)acetamide

2-fluoro-N-(2-methylsulfanyl-6-phenylpyrimidin-4-yl)acetamide (PubChem CID 142723892) has the molecular formula C13H12FN3OS and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-fluoro-N-(2-methylsulfanyl-6-phenylpyrimidin-4-yl)acetamide.

Molecular Properties

Compound Name2-fluoro-N-(2-methylsulfanyl-6-phenylpyrimidin-4-yl)acetamide
PubChem CID142723892
Molecular FormulaC13H12FN3OS
Molecular Weight277.32 g/mol
Exact Mass277.07
IUPAC Name2-fluoro-N-(2-methylsulfanyl-6-phenylpyrimidin-4-yl)acetamide
SMILESCSc1nc(NC(=O)CF)cc(-c2ccccc2)n1
InChIInChI=1S/C13H12FN3OS/c1-19-13-15-10(9-5-3-2-4-6-9)7-11(17-13)16-12(18)8-14/h2-7H,8H2,1H3,(H,15,16,17,18)
InChIKeyUIPBOAPPNXJIAR-UHFFFAOYSA-N
XLogP2.77
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-methylsulfanyl-6-phenylpyrimidin-4-yl)acetamide?
The IUPAC name of 2-fluoro-N-(2-methylsulfanyl-6-phenylpyrimidin-4-yl)acetamide (CID 142723892) is 2-fluoro-N-(2-methylsulfanyl-6-phenylpyrimidin-4-yl)acetamide.
What is the SMILES notation for 2-fluoro-N-(2-methylsulfanyl-6-phenylpyrimidin-4-yl)acetamide?
The canonical SMILES for 2-fluoro-N-(2-methylsulfanyl-6-phenylpyrimidin-4-yl)acetamide is CSc1nc(NC(=O)CF)cc(-c2ccccc2)n1.
What is the InChIKey of 2-fluoro-N-(2-methylsulfanyl-6-phenylpyrimidin-4-yl)acetamide?
The InChIKey is UIPBOAPPNXJIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3OS/c1-19-13-15-10(9-5-3-2-4-6-9)7-11(17-13)16-12(18)8-14/h2-7H,8H2,1H3,(H,15,16,17,18).
What are the key properties of 2-fluoro-N-(2-methylsulfanyl-6-phenylpyrimidin-4-yl)acetamide?
2-fluoro-N-(2-methylsulfanyl-6-phenylpyrimidin-4-yl)acetamide has a molecular weight of 277.32 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-methylsulfanyl-6-phenylpyrimidin-4-yl)acetamide is sourced from PubChem (CID 142723892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).