3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(5-fluoro-2-methylphenyl)propanamide

C17H20FN3OS — CID 7668781

IUPAC3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(5-fluoro-2-methylphenyl)propanamide
SMILESCSc1nc(C)c(CCC(=O)Nc2cc(F)ccc2C)c(C)n1
InChIInChI=1S/C17H20FN3OS/c1-10-5-6-13(18)9-15(10)21-16(22)8-7-14-11(2)19-17(23-4)20-12(14)3/h5-6,9H,7-8H2,1-4H3,(H,21,22)
InChIKeySFXGAZZSXMBPTA-UHFFFAOYSA-N
MW333.43 g/mol
LogP3.83
Rot. Bonds5

About 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(5-fluoro-2-methylphenyl)propanamide

3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(5-fluoro-2-methylphenyl)propanamide (PubChem CID 7668781) has the molecular formula C17H20FN3OS and a molecular weight of 333.43 g/mol. Its IUPAC name is 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(5-fluoro-2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(5-fluoro-2-methylphenyl)propanamide
PubChem CID7668781
Molecular FormulaC17H20FN3OS
Molecular Weight333.43 g/mol
Exact Mass333.13
IUPAC Name3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(5-fluoro-2-methylphenyl)propanamide
SMILESCSc1nc(C)c(CCC(=O)Nc2cc(F)ccc2C)c(C)n1
InChIInChI=1S/C17H20FN3OS/c1-10-5-6-13(18)9-15(10)21-16(22)8-7-14-11(2)19-17(23-4)20-12(14)3/h5-6,9H,7-8H2,1-4H3,(H,21,22)
InChIKeySFXGAZZSXMBPTA-UHFFFAOYSA-N
XLogP3.83
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(5-fluoro-2-methylphenyl)propanamide?
The IUPAC name of 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(5-fluoro-2-methylphenyl)propanamide (CID 7668781) is 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(5-fluoro-2-methylphenyl)propanamide.
What is the SMILES notation for 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(5-fluoro-2-methylphenyl)propanamide?
The canonical SMILES for 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(5-fluoro-2-methylphenyl)propanamide is CSc1nc(C)c(CCC(=O)Nc2cc(F)ccc2C)c(C)n1.
What is the InChIKey of 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(5-fluoro-2-methylphenyl)propanamide?
The InChIKey is SFXGAZZSXMBPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3OS/c1-10-5-6-13(18)9-15(10)21-16(22)8-7-14-11(2)19-17(23-4)20-12(14)3/h5-6,9H,7-8H2,1-4H3,(H,21,22).
What are the key properties of 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(5-fluoro-2-methylphenyl)propanamide?
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(5-fluoro-2-methylphenyl)propanamide has a molecular weight of 333.43 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(5-fluoro-2-methylphenyl)propanamide is sourced from PubChem (CID 7668781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).