N-(4-fluorophenyl)-2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetamide

C13H12FN3O2S — CID 7183921

IUPACN-(4-fluorophenyl)-2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetamide
SMILESCc1cc(SCC(=O)Nc2ccc(F)cc2)nc(=O)[nH]1
InChIInChI=1S/C13H12FN3O2S/c1-8-6-12(17-13(19)15-8)20-7-11(18)16-10-4-2-9(14)3-5-10/h2-6H,7H2,1H3,(H,16,18)(H,15,17,19)
InChIKeyYRJKNQBVKRWRHT-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.95
Rot. Bonds4

About N-(4-fluorophenyl)-2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetamide

N-(4-fluorophenyl)-2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetamide (PubChem CID 7183921) has the molecular formula C13H12FN3O2S and a molecular weight of 293.32 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetamide
PubChem CID7183921
Molecular FormulaC13H12FN3O2S
Molecular Weight293.32 g/mol
Exact Mass293.06
IUPAC NameN-(4-fluorophenyl)-2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetamide
SMILESCc1cc(SCC(=O)Nc2ccc(F)cc2)nc(=O)[nH]1
InChIInChI=1S/C13H12FN3O2S/c1-8-6-12(17-13(19)15-8)20-7-11(18)16-10-4-2-9(14)3-5-10/h2-6H,7H2,1H3,(H,16,18)(H,15,17,19)
InChIKeyYRJKNQBVKRWRHT-UHFFFAOYSA-N
XLogP1.95
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4-fluorophenyl)-2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetamide (CID 7183921) is N-(4-fluorophenyl)-2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetamide is Cc1cc(SCC(=O)Nc2ccc(F)cc2)nc(=O)[nH]1.
What is the InChIKey of N-(4-fluorophenyl)-2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetamide?
The InChIKey is YRJKNQBVKRWRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O2S/c1-8-6-12(17-13(19)15-8)20-7-11(18)16-10-4-2-9(14)3-5-10/h2-6H,7H2,1H3,(H,16,18)(H,15,17,19).
What are the key properties of N-(4-fluorophenyl)-2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetamide?
N-(4-fluorophenyl)-2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetamide has a molecular weight of 293.32 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetamide is sourced from PubChem (CID 7183921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).