3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[3-(trifluoromethyl)phenyl]propanamide

C17H18F3N3OS — CID 7668173

IUPAC3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESCSc1nc(C)c(CCC(=O)Nc2cccc(C(F)(F)F)c2)c(C)n1
InChIInChI=1S/C17H18F3N3OS/c1-10-14(11(2)22-16(21-10)25-3)7-8-15(24)23-13-6-4-5-12(9-13)17(18,19)20/h4-6,9H,7-8H2,1-3H3,(H,23,24)
InChIKeyYDTNBZQCBFLBCH-UHFFFAOYSA-N
MW369.41 g/mol
LogP4.41
Rot. Bonds5

About 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[3-(trifluoromethyl)phenyl]propanamide

3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 7668173) has the molecular formula C17H18F3N3OS and a molecular weight of 369.41 g/mol. Its IUPAC name is 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
PubChem CID7668173
Molecular FormulaC17H18F3N3OS
Molecular Weight369.41 g/mol
Exact Mass369.11
IUPAC Name3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESCSc1nc(C)c(CCC(=O)Nc2cccc(C(F)(F)F)c2)c(C)n1
InChIInChI=1S/C17H18F3N3OS/c1-10-14(11(2)22-16(21-10)25-3)7-8-15(24)23-13-6-4-5-12(9-13)17(18,19)20/h4-6,9H,7-8H2,1-3H3,(H,23,24)
InChIKeyYDTNBZQCBFLBCH-UHFFFAOYSA-N
XLogP4.41
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.41
LogP ≤ 54.41
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-[3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[3-(trifluoromethyl)phenyl]propanamide (CID 7668173) is 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[3-(trifluoromethyl)phenyl]propanamide is CSc1nc(C)c(CCC(=O)Nc2cccc(C(F)(F)F)c2)c(C)n1.
What is the InChIKey of 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is YDTNBZQCBFLBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3OS/c1-10-14(11(2)22-16(21-10)25-3)7-8-15(24)23-13-6-4-5-12(9-13)17(18,19)20/h4-6,9H,7-8H2,1-3H3,(H,23,24).
What are the key properties of 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[3-(trifluoromethyl)phenyl]propanamide?
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 369.41 g/mol, XLogP of 4.41, 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-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 7668173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).