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

C21H20FN3O2S — CID 7748810

IUPACN-(4-fluorophenyl)-2-[4-methyl-6-oxo-2-(2-phenylethylsulfanyl)pyrimidin-1-yl]acetamide
SMILESCc1cc(=O)n(CC(=O)Nc2ccc(F)cc2)c(SCCc2ccccc2)n1
InChIInChI=1S/C21H20FN3O2S/c1-15-13-20(27)25(14-19(26)24-18-9-7-17(22)8-10-18)21(23-15)28-12-11-16-5-3-2-4-6-16/h2-10,13H,11-12,14H2,1H3,(H,24,26)
InChIKeyIIROUCZZWSORAQ-UHFFFAOYSA-N
MW397.48 g/mol
LogP3.66
Rot. Bonds7

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

N-(4-fluorophenyl)-2-[4-methyl-6-oxo-2-(2-phenylethylsulfanyl)pyrimidin-1-yl]acetamide (PubChem CID 7748810) has the molecular formula C21H20FN3O2S and a molecular weight of 397.48 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[4-methyl-6-oxo-2-(2-phenylethylsulfanyl)pyrimidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[4-methyl-6-oxo-2-(2-phenylethylsulfanyl)pyrimidin-1-yl]acetamide
PubChem CID7748810
Molecular FormulaC21H20FN3O2S
Molecular Weight397.48 g/mol
Exact Mass397.13
IUPAC NameN-(4-fluorophenyl)-2-[4-methyl-6-oxo-2-(2-phenylethylsulfanyl)pyrimidin-1-yl]acetamide
SMILESCc1cc(=O)n(CC(=O)Nc2ccc(F)cc2)c(SCCc2ccccc2)n1
InChIInChI=1S/C21H20FN3O2S/c1-15-13-20(27)25(14-19(26)24-18-9-7-17(22)8-10-18)21(23-15)28-12-11-16-5-3-2-4-6-16/h2-10,13H,11-12,14H2,1H3,(H,24,26)
InChIKeyIIROUCZZWSORAQ-UHFFFAOYSA-N
XLogP3.66
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyphenyl)-2-[4-methyl-6-oxo-2-(2-phenylethylsulfanyl)pyrimidin-1-yl]acetamide
CID 7748780
2-[4-methyl-6-oxo-2-(2-phenylethylsulfanyl)pyrimidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 7748800
2-(2-benzylsulfanyl-4-methyl-6-oxopyrimidin-1-yl)-N-(4-methoxyphenyl)acetamide
CID 7748580
N-(3-fluoro-4-methylphenyl)-2-(4-methyl-6-oxo-2-phenylpyrimidin-1-yl)acetamide
CID 91887493
propyl 4-[[2-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetyl]amino]benzoate
CID 7748146
2-[4-methyl-6-oxo-2-(4-phenylpiperazin-1-yl)pyrimidin-1-yl]-N-(4-methylphenyl)acetamide
CID 91903937
N-(3-chloro-4-methylphenyl)-2-[2-(4-fluorophenyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 91887414
2-(2,4-dimethyl-6-oxopyrimidin-1-yl)-N-(2-fluorophenyl)acetamide
CID 7748871
2-[2-amino-4-(methoxymethyl)-6-oxopyrimidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 53201805
2-[6-oxo-4-phenyl-2-(2-phenylethylsulfanyl)pyrimidin-1-yl]acetamide
CID 7748819
2-[2-(4-fluoroanilino)-4-methyl-6-oxopyrimidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 53201949
N-(4-chlorophenyl)-2-(4-methyl-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide
CID 4656952

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[4-methyl-6-oxo-2-(2-phenylethylsulfanyl)pyrimidin-1-yl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[4-methyl-6-oxo-2-(2-phenylethylsulfanyl)pyrimidin-1-yl]acetamide (CID 7748810) is N-(4-fluorophenyl)-2-[4-methyl-6-oxo-2-(2-phenylethylsulfanyl)pyrimidin-1-yl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[4-methyl-6-oxo-2-(2-phenylethylsulfanyl)pyrimidin-1-yl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[4-methyl-6-oxo-2-(2-phenylethylsulfanyl)pyrimidin-1-yl]acetamide is Cc1cc(=O)n(CC(=O)Nc2ccc(F)cc2)c(SCCc2ccccc2)n1.
What is the InChIKey of N-(4-fluorophenyl)-2-[4-methyl-6-oxo-2-(2-phenylethylsulfanyl)pyrimidin-1-yl]acetamide?
The InChIKey is IIROUCZZWSORAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2S/c1-15-13-20(27)25(14-19(26)24-18-9-7-17(22)8-10-18)21(23-15)28-12-11-16-5-3-2-4-6-16/h2-10,13H,11-12,14H2,1H3,(H,24,26).
What are the key properties of N-(4-fluorophenyl)-2-[4-methyl-6-oxo-2-(2-phenylethylsulfanyl)pyrimidin-1-yl]acetamide?
N-(4-fluorophenyl)-2-[4-methyl-6-oxo-2-(2-phenylethylsulfanyl)pyrimidin-1-yl]acetamide has a molecular weight of 397.48 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[4-methyl-6-oxo-2-(2-phenylethylsulfanyl)pyrimidin-1-yl]acetamide is sourced from PubChem (CID 7748810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).