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

C17H24F3N3OS — CID 55533931

IUPAC3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[2-(trifluoromethyl)cyclohexyl]propanamide
SMILESCSc1nc(C)c(CCC(=O)NC2CCCCC2C(F)(F)F)c(C)n1
InChIInChI=1S/C17H24F3N3OS/c1-10-12(11(2)22-16(21-10)25-3)8-9-15(24)23-14-7-5-4-6-13(14)17(18,19)20/h13-14H,4-9H2,1-3H3,(H,23,24)
InChIKeyFFXXTHLPLTUQIF-UHFFFAOYSA-N
MW375.46 g/mol
LogP3.99
Rot. Bonds5

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

3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[2-(trifluoromethyl)cyclohexyl]propanamide (PubChem CID 55533931) has the molecular formula C17H24F3N3OS and a molecular weight of 375.46 g/mol. Its IUPAC name is 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[2-(trifluoromethyl)cyclohexyl]propanamide.

Molecular Properties

Compound Name3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[2-(trifluoromethyl)cyclohexyl]propanamide
PubChem CID55533931
Molecular FormulaC17H24F3N3OS
Molecular Weight375.46 g/mol
Exact Mass375.16
IUPAC Name3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[2-(trifluoromethyl)cyclohexyl]propanamide
SMILESCSc1nc(C)c(CCC(=O)NC2CCCCC2C(F)(F)F)c(C)n1
InChIInChI=1S/C17H24F3N3OS/c1-10-12(11(2)22-16(21-10)25-3)8-9-15(24)23-14-7-5-4-6-13(14)17(18,19)20/h13-14H,4-9H2,1-3H3,(H,23,24)
InChIKeyFFXXTHLPLTUQIF-UHFFFAOYSA-N
XLogP3.99
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.46
LogP ≤ 53.99
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-[2-(trifluoromethyl)cyclohexyl]propanamide?
The IUPAC name of 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[2-(trifluoromethyl)cyclohexyl]propanamide (CID 55533931) is 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[2-(trifluoromethyl)cyclohexyl]propanamide.
What is the SMILES notation for 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[2-(trifluoromethyl)cyclohexyl]propanamide?
The canonical SMILES for 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[2-(trifluoromethyl)cyclohexyl]propanamide is CSc1nc(C)c(CCC(=O)NC2CCCCC2C(F)(F)F)c(C)n1.
What is the InChIKey of 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[2-(trifluoromethyl)cyclohexyl]propanamide?
The InChIKey is FFXXTHLPLTUQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N3OS/c1-10-12(11(2)22-16(21-10)25-3)8-9-15(24)23-14-7-5-4-6-13(14)17(18,19)20/h13-14H,4-9H2,1-3H3,(H,23,24).
What are the key properties of 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[2-(trifluoromethyl)cyclohexyl]propanamide?
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[2-(trifluoromethyl)cyclohexyl]propanamide has a molecular weight of 375.46 g/mol, XLogP of 3.99, 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-[2-(trifluoromethyl)cyclohexyl]propanamide is sourced from PubChem (CID 55533931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).