2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(4-fluorophenyl)butanamide

C17H20FN3O2S — CID 42739160

IUPAC2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(4-fluorophenyl)butanamide
SMILESCCc1cc(=O)n(C)c(SC(CC)C(=O)Nc2ccc(F)cc2)n1
InChIInChI=1S/C17H20FN3O2S/c1-4-12-10-15(22)21(3)17(20-12)24-14(5-2)16(23)19-13-8-6-11(18)7-9-13/h6-10,14H,4-5H2,1-3H3,(H,19,23)
InChIKeyGUDKPJPEEMCCEU-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.99
Rot. Bonds6

About 2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(4-fluorophenyl)butanamide

2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(4-fluorophenyl)butanamide (PubChem CID 42739160) has the molecular formula C17H20FN3O2S and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(4-fluorophenyl)butanamide.

Molecular Properties

Compound Name2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(4-fluorophenyl)butanamide
PubChem CID42739160
Molecular FormulaC17H20FN3O2S
Molecular Weight349.43 g/mol
Exact Mass349.13
IUPAC Name2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(4-fluorophenyl)butanamide
SMILESCCc1cc(=O)n(C)c(SC(CC)C(=O)Nc2ccc(F)cc2)n1
InChIInChI=1S/C17H20FN3O2S/c1-4-12-10-15(22)21(3)17(20-12)24-14(5-2)16(23)19-13-8-6-11(18)7-9-13/h6-10,14H,4-5H2,1-3H3,(H,19,23)
InChIKeyGUDKPJPEEMCCEU-UHFFFAOYSA-N
XLogP2.99
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(4-fluorophenyl)butanamide?
The IUPAC name of 2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(4-fluorophenyl)butanamide (CID 42739160) is 2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(4-fluorophenyl)butanamide.
What is the SMILES notation for 2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(4-fluorophenyl)butanamide?
The canonical SMILES for 2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(4-fluorophenyl)butanamide is CCc1cc(=O)n(C)c(SC(CC)C(=O)Nc2ccc(F)cc2)n1.
What is the InChIKey of 2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(4-fluorophenyl)butanamide?
The InChIKey is GUDKPJPEEMCCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2S/c1-4-12-10-15(22)21(3)17(20-12)24-14(5-2)16(23)19-13-8-6-11(18)7-9-13/h6-10,14H,4-5H2,1-3H3,(H,19,23).
What are the key properties of 2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(4-fluorophenyl)butanamide?
2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(4-fluorophenyl)butanamide has a molecular weight of 349.43 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(4-fluorophenyl)butanamide is sourced from PubChem (CID 42739160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).