2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]-N-propan-2-ylacetamide

C10H12F3N3O2S — CID 135561735

IUPAC2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CSc1nc(C(F)(F)F)cc(=O)[nH]1
InChIInChI=1S/C10H12F3N3O2S/c1-5(2)14-8(18)4-19-9-15-6(10(11,12)13)3-7(17)16-9/h3,5H,4H2,1-2H3,(H,14,18)(H,15,16,17)
InChIKeyDOQIUGIXNDSNKB-UHFFFAOYSA-N
MW295.29 g/mol
LogP1.41
Rot. Bonds4

About 2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]-N-propan-2-ylacetamide

2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]-N-propan-2-ylacetamide (PubChem CID 135561735) has the molecular formula C10H12F3N3O2S and a molecular weight of 295.29 g/mol. Its IUPAC name is 2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]-N-propan-2-ylacetamide
PubChem CID135561735
Molecular FormulaC10H12F3N3O2S
Molecular Weight295.29 g/mol
Exact Mass295.06
IUPAC Name2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CSc1nc(C(F)(F)F)cc(=O)[nH]1
InChIInChI=1S/C10H12F3N3O2S/c1-5(2)14-8(18)4-19-9-15-6(10(11,12)13)3-7(17)16-9/h3,5H,4H2,1-2H3,(H,14,18)(H,15,16,17)
InChIKeyDOQIUGIXNDSNKB-UHFFFAOYSA-N
XLogP1.41
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]-N-propan-2-ylacetamide (CID 135561735) is 2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]-N-propan-2-ylacetamide is CC(C)NC(=O)CSc1nc(C(F)(F)F)cc(=O)[nH]1.
What is the InChIKey of 2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]-N-propan-2-ylacetamide?
The InChIKey is DOQIUGIXNDSNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O2S/c1-5(2)14-8(18)4-19-9-15-6(10(11,12)13)3-7(17)16-9/h3,5H,4H2,1-2H3,(H,14,18)(H,15,16,17).
What are the key properties of 2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]-N-propan-2-ylacetamide?
2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]-N-propan-2-ylacetamide has a molecular weight of 295.29 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 135561735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).