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

C10H9ClF3N3OS — CID 114234017

IUPAC2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-N-cyclopropylacetamide
SMILESO=C(CSc1cc(Cl)nc(C(F)(F)F)n1)NC1CC1
InChIInChI=1S/C10H9ClF3N3OS/c11-6-3-8(17-9(16-6)10(12,13)14)19-4-7(18)15-5-1-2-5/h3,5H,1-2,4H2,(H,15,18)
InChIKeyXBKMUSRCOMGDBZ-UHFFFAOYSA-N
MW311.72 g/mol
LogP2.52
Rot. Bonds4

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

2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-N-cyclopropylacetamide (PubChem CID 114234017) has the molecular formula C10H9ClF3N3OS and a molecular weight of 311.72 g/mol. Its IUPAC name is 2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-N-cyclopropylacetamide
PubChem CID114234017
Molecular FormulaC10H9ClF3N3OS
Molecular Weight311.72 g/mol
Exact Mass311.01
IUPAC Name2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-N-cyclopropylacetamide
SMILESO=C(CSc1cc(Cl)nc(C(F)(F)F)n1)NC1CC1
InChIInChI=1S/C10H9ClF3N3OS/c11-6-3-8(17-9(16-6)10(12,13)14)19-4-7(18)15-5-1-2-5/h3,5H,1-2,4H2,(H,15,18)
InChIKeyXBKMUSRCOMGDBZ-UHFFFAOYSA-N
XLogP2.52
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.72
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-N-cyclopropylacetamide?
The IUPAC name of 2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-N-cyclopropylacetamide (CID 114234017) is 2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-N-cyclopropylacetamide.
What is the SMILES notation for 2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-N-cyclopropylacetamide?
The canonical SMILES for 2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-N-cyclopropylacetamide is O=C(CSc1cc(Cl)nc(C(F)(F)F)n1)NC1CC1.
What is the InChIKey of 2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-N-cyclopropylacetamide?
The InChIKey is XBKMUSRCOMGDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3N3OS/c11-6-3-8(17-9(16-6)10(12,13)14)19-4-7(18)15-5-1-2-5/h3,5H,1-2,4H2,(H,15,18).
What are the key properties of 2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-N-cyclopropylacetamide?
2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-N-cyclopropylacetamide has a molecular weight of 311.72 g/mol, XLogP of 2.52, 4 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-cyclopropylacetamide is sourced from PubChem (CID 114234017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).