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

C16H18FN3O2S — CID 42739082

IUPAC2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(4-fluorophenyl)propanamide
SMILESCCc1cc(=O)n(C)c(SC(C)C(=O)Nc2ccc(F)cc2)n1
InChIInChI=1S/C16H18FN3O2S/c1-4-12-9-14(21)20(3)16(19-12)23-10(2)15(22)18-13-7-5-11(17)6-8-13/h5-10H,4H2,1-3H3,(H,18,22)
InChIKeyCDBWFBZJVOUMSG-UHFFFAOYSA-N
MW335.40 g/mol
LogP2.60
Rot. Bonds5

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

2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(4-fluorophenyl)propanamide (PubChem CID 42739082) has the molecular formula C16H18FN3O2S and a molecular weight of 335.40 g/mol. Its IUPAC name is 2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(4-fluorophenyl)propanamide.

Molecular Properties

Compound Name2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(4-fluorophenyl)propanamide
PubChem CID42739082
Molecular FormulaC16H18FN3O2S
Molecular Weight335.40 g/mol
Exact Mass335.11
IUPAC Name2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(4-fluorophenyl)propanamide
SMILESCCc1cc(=O)n(C)c(SC(C)C(=O)Nc2ccc(F)cc2)n1
InChIInChI=1S/C16H18FN3O2S/c1-4-12-9-14(21)20(3)16(19-12)23-10(2)15(22)18-13-7-5-11(17)6-8-13/h5-10H,4H2,1-3H3,(H,18,22)
InChIKeyCDBWFBZJVOUMSG-UHFFFAOYSA-N
XLogP2.60
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.60
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)propanamide?
The IUPAC name of 2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(4-fluorophenyl)propanamide (CID 42739082) is 2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(4-fluorophenyl)propanamide.
What is the SMILES notation for 2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(4-fluorophenyl)propanamide?
The canonical SMILES for 2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(4-fluorophenyl)propanamide is CCc1cc(=O)n(C)c(SC(C)C(=O)Nc2ccc(F)cc2)n1.
What is the InChIKey of 2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(4-fluorophenyl)propanamide?
The InChIKey is CDBWFBZJVOUMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O2S/c1-4-12-9-14(21)20(3)16(19-12)23-10(2)15(22)18-13-7-5-11(17)6-8-13/h5-10H,4H2,1-3H3,(H,18,22).
What are the key properties of 2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(4-fluorophenyl)propanamide?
2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(4-fluorophenyl)propanamide has a molecular weight of 335.40 g/mol, XLogP of 2.60, 5 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)propanamide is sourced from PubChem (CID 42739082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).