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

C10H11ClF3N3OS — CID 114234008

IUPAC2-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CSc1cc(C(F)(F)F)nc(Cl)n1
InChIInChI=1S/C10H11ClF3N3OS/c1-5(2)15-7(18)4-19-8-3-6(10(12,13)14)16-9(11)17-8/h3,5H,4H2,1-2H3,(H,15,18)
InChIKeyQZZRQTIZKLUTCY-UHFFFAOYSA-N
MW313.73 g/mol
LogP2.77
Rot. Bonds4

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

2-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-N-propan-2-ylacetamide (PubChem CID 114234008) has the molecular formula C10H11ClF3N3OS and a molecular weight of 313.73 g/mol. Its IUPAC name is 2-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-N-propan-2-ylacetamide
PubChem CID114234008
Molecular FormulaC10H11ClF3N3OS
Molecular Weight313.73 g/mol
Exact Mass313.03
IUPAC Name2-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CSc1cc(C(F)(F)F)nc(Cl)n1
InChIInChI=1S/C10H11ClF3N3OS/c1-5(2)15-7(18)4-19-8-3-6(10(12,13)14)16-9(11)17-8/h3,5H,4H2,1-2H3,(H,15,18)
InChIKeyQZZRQTIZKLUTCY-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-N-propan-2-ylacetamide (CID 114234008) is 2-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-N-propan-2-ylacetamide is CC(C)NC(=O)CSc1cc(C(F)(F)F)nc(Cl)n1.
What is the InChIKey of 2-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-N-propan-2-ylacetamide?
The InChIKey is QZZRQTIZKLUTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3N3OS/c1-5(2)15-7(18)4-19-8-3-6(10(12,13)14)16-9(11)17-8/h3,5H,4H2,1-2H3,(H,15,18).
What are the key properties of 2-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-N-propan-2-ylacetamide?
2-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-N-propan-2-ylacetamide has a molecular weight of 313.73 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-N-propan-2-ylacetamide is sourced from PubChem (CID 114234008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).