2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-N-propylacetamide

C10H11ClF3N3OS — CID 114233982

IUPAC2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-N-propylacetamide
SMILESCCCNC(=O)CSc1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C10H11ClF3N3OS/c1-2-3-15-7(18)5-19-8-4-6(11)16-9(17-8)10(12,13)14/h4H,2-3,5H2,1H3,(H,15,18)
InChIKeyMAASXZRCEFLJRY-UHFFFAOYSA-N
MW313.73 g/mol
LogP2.77
Rot. Bonds5

About 2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-N-propylacetamide

2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-N-propylacetamide (PubChem CID 114233982) has the molecular formula C10H11ClF3N3OS and a molecular weight of 313.73 g/mol. Its IUPAC name is 2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-N-propylacetamide.

Molecular Properties

Compound Name2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-N-propylacetamide
PubChem CID114233982
Molecular FormulaC10H11ClF3N3OS
Molecular Weight313.73 g/mol
Exact Mass313.03
IUPAC Name2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-N-propylacetamide
SMILESCCCNC(=O)CSc1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C10H11ClF3N3OS/c1-2-3-15-7(18)5-19-8-4-6(11)16-9(17-8)10(12,13)14/h4H,2-3,5H2,1H3,(H,15,18)
InChIKeyMAASXZRCEFLJRY-UHFFFAOYSA-N
XLogP2.77
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.73
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-N-propylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-N-propylacetamide?
The IUPAC name of 2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-N-propylacetamide (CID 114233982) is 2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-N-propylacetamide.
What is the SMILES notation for 2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-N-propylacetamide?
The canonical SMILES for 2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-N-propylacetamide is CCCNC(=O)CSc1cc(Cl)nc(C(F)(F)F)n1.
What is the InChIKey of 2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-N-propylacetamide?
The InChIKey is MAASXZRCEFLJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3N3OS/c1-2-3-15-7(18)5-19-8-4-6(11)16-9(17-8)10(12,13)14/h4H,2-3,5H2,1H3,(H,15,18).
What are the key properties of 2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-N-propylacetamide?
2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-N-propylacetamide has a molecular weight of 313.73 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-N-propylacetamide is sourced from PubChem (CID 114233982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).