N-(4-chloro-6-methyl-2-propylsulfanylpyrimidin-5-yl)-2,2,2-trifluoroacetamide

C10H11ClF3N3OS — CID 162543942

IUPACN-(4-chloro-6-methyl-2-propylsulfanylpyrimidin-5-yl)-2,2,2-trifluoroacetamide
SMILESCCCSc1nc(C)c(NC(=O)C(F)(F)F)c(Cl)n1
InChIInChI=1S/C10H11ClF3N3OS/c1-3-4-19-9-15-5(2)6(7(11)17-9)16-8(18)10(12,13)14/h3-4H2,1-2H3,(H,16,18)
InChIKeyKQUUYCSKNIZICX-UHFFFAOYSA-N
MW313.73 g/mol
LogP3.44
Rot. Bonds4

About N-(4-chloro-6-methyl-2-propylsulfanylpyrimidin-5-yl)-2,2,2-trifluoroacetamide

N-(4-chloro-6-methyl-2-propylsulfanylpyrimidin-5-yl)-2,2,2-trifluoroacetamide (PubChem CID 162543942) has the molecular formula C10H11ClF3N3OS and a molecular weight of 313.73 g/mol. Its IUPAC name is N-(4-chloro-6-methyl-2-propylsulfanylpyrimidin-5-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(4-chloro-6-methyl-2-propylsulfanylpyrimidin-5-yl)-2,2,2-trifluoroacetamide
PubChem CID162543942
Molecular FormulaC10H11ClF3N3OS
Molecular Weight313.73 g/mol
Exact Mass313.03
IUPAC NameN-(4-chloro-6-methyl-2-propylsulfanylpyrimidin-5-yl)-2,2,2-trifluoroacetamide
SMILESCCCSc1nc(C)c(NC(=O)C(F)(F)F)c(Cl)n1
InChIInChI=1S/C10H11ClF3N3OS/c1-3-4-19-9-15-5(2)6(7(11)17-9)16-8(18)10(12,13)14/h3-4H2,1-2H3,(H,16,18)
InChIKeyKQUUYCSKNIZICX-UHFFFAOYSA-N
XLogP3.44
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.73
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-6-methyl-2-propylsulfanylpyrimidin-5-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(4-chloro-6-methyl-2-propylsulfanylpyrimidin-5-yl)-2,2,2-trifluoroacetamide (CID 162543942) is N-(4-chloro-6-methyl-2-propylsulfanylpyrimidin-5-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(4-chloro-6-methyl-2-propylsulfanylpyrimidin-5-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(4-chloro-6-methyl-2-propylsulfanylpyrimidin-5-yl)-2,2,2-trifluoroacetamide is CCCSc1nc(C)c(NC(=O)C(F)(F)F)c(Cl)n1.
What is the InChIKey of N-(4-chloro-6-methyl-2-propylsulfanylpyrimidin-5-yl)-2,2,2-trifluoroacetamide?
The InChIKey is KQUUYCSKNIZICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3N3OS/c1-3-4-19-9-15-5(2)6(7(11)17-9)16-8(18)10(12,13)14/h3-4H2,1-2H3,(H,16,18).
What are the key properties of N-(4-chloro-6-methyl-2-propylsulfanylpyrimidin-5-yl)-2,2,2-trifluoroacetamide?
N-(4-chloro-6-methyl-2-propylsulfanylpyrimidin-5-yl)-2,2,2-trifluoroacetamide has a molecular weight of 313.73 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-6-methyl-2-propylsulfanylpyrimidin-5-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 162543942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).