2-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-N-ethylacetamide

C9H11F3N4OS — CID 114235110

IUPAC2-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-N-ethylacetamide
SMILESCCNC(=O)CSc1cc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C9H11F3N4OS/c1-2-14-6(17)4-18-7-3-5(13)15-8(16-7)9(10,11)12/h3H,2,4H2,1H3,(H,14,17)(H2,13,15,16)
InChIKeyGBVSWKOOJIEDPW-UHFFFAOYSA-N
MW280.27 g/mol
LogP1.31
Rot. Bonds4

About 2-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-N-ethylacetamide

2-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-N-ethylacetamide (PubChem CID 114235110) has the molecular formula C9H11F3N4OS and a molecular weight of 280.27 g/mol. Its IUPAC name is 2-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-N-ethylacetamide.

Molecular Properties

Compound Name2-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-N-ethylacetamide
PubChem CID114235110
Molecular FormulaC9H11F3N4OS
Molecular Weight280.27 g/mol
Exact Mass280.06
IUPAC Name2-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-N-ethylacetamide
SMILESCCNC(=O)CSc1cc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C9H11F3N4OS/c1-2-14-6(17)4-18-7-3-5(13)15-8(16-7)9(10,11)12/h3H,2,4H2,1H3,(H,14,17)(H2,13,15,16)
InChIKeyGBVSWKOOJIEDPW-UHFFFAOYSA-N
XLogP1.31
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.27
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-N-ethylacetamide?
The IUPAC name of 2-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-N-ethylacetamide (CID 114235110) is 2-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-N-ethylacetamide.
What is the SMILES notation for 2-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-N-ethylacetamide?
The canonical SMILES for 2-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-N-ethylacetamide is CCNC(=O)CSc1cc(N)nc(C(F)(F)F)n1.
What is the InChIKey of 2-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-N-ethylacetamide?
The InChIKey is GBVSWKOOJIEDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N4OS/c1-2-14-6(17)4-18-7-3-5(13)15-8(16-7)9(10,11)12/h3H,2,4H2,1H3,(H,14,17)(H2,13,15,16).
What are the key properties of 2-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-N-ethylacetamide?
2-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-N-ethylacetamide has a molecular weight of 280.27 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-N-ethylacetamide is sourced from PubChem (CID 114235110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).