4-phenyl-6-thiophen-2-yl-5-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-pyrimidin-2-one

C16H11F3N2O2S — CID 11245094

IUPAC4-phenyl-6-thiophen-2-yl-5-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-pyrimidin-2-one
SMILESO=C1NC(c2cccs2)=C(C(=O)C(F)(F)F)C(c2ccccc2)N1
InChIInChI=1S/C16H11F3N2O2S/c17-16(18,19)14(22)11-12(9-5-2-1-3-6-9)20-15(23)21-13(11)10-7-4-8-24-10/h1-8,12H,(H2,20,21,23)
InChIKeyKYLDESXCAWRLQM-UHFFFAOYSA-N
MW352.34 g/mol
LogP3.64
Rot. Bonds3

About 4-phenyl-6-thiophen-2-yl-5-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-pyrimidin-2-one

4-phenyl-6-thiophen-2-yl-5-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-pyrimidin-2-one (PubChem CID 11245094) has the molecular formula C16H11F3N2O2S and a molecular weight of 352.34 g/mol. Its IUPAC name is 4-phenyl-6-thiophen-2-yl-5-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-phenyl-6-thiophen-2-yl-5-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-pyrimidin-2-one
PubChem CID11245094
Molecular FormulaC16H11F3N2O2S
Molecular Weight352.34 g/mol
Exact Mass352.05
IUPAC Name4-phenyl-6-thiophen-2-yl-5-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-pyrimidin-2-one
SMILESO=C1NC(c2cccs2)=C(C(=O)C(F)(F)F)C(c2ccccc2)N1
InChIInChI=1S/C16H11F3N2O2S/c17-16(18,19)14(22)11-12(9-5-2-1-3-6-9)20-15(23)21-13(11)10-7-4-8-24-10/h1-8,12H,(H2,20,21,23)
InChIKeyKYLDESXCAWRLQM-UHFFFAOYSA-N
XLogP3.64
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.34
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-phenyl-6-thiophen-2-yl-5-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-pyrimidin-2-one with MolForge

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Related Compounds

(4S)-4-[4-(difluoromethoxy)phenyl]-6-phenyl-5-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-pyrimidin-2-one
CID 2320473
(4R)-5-acetyl-4,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one
CID 7379197
ethyl 4-methyl-2-oxo-6-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 3613421
5-phenyl-(411C)1,3-diazolidine-2,4-dione
CID 90678716
5-thiophen-2-yl-4-(2,2,2-trifluoroacetyl)furan-2,3-dione
CID 125493493
(4R)-5-benzoyl-6-methyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidin-2-one
CID 7720649
2,2,2-trifluoro-1-(2-thiophen-2-ylspiro[3.4]oct-2-en-3-yl)ethanone
CID 71670619
(4R)-5-benzoyl-6-methyl-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one
CID 701290
5-acetyl-6-ethyl-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one
CID 20707073
5-(5-thiophen-2-ylthiophen-2-yl)imidazolidine-2,4-dione
CID 57390260
7-phenyl-1,4,6,7-tetrahydro-[1,3]thiazolo[5,4-d]pyrimidine-2,5-dione
CID 164888401
ethyl 2-oxo-6-phenyl-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 4652033

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-6-thiophen-2-yl-5-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-pyrimidin-2-one?
The IUPAC name of 4-phenyl-6-thiophen-2-yl-5-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-pyrimidin-2-one (CID 11245094) is 4-phenyl-6-thiophen-2-yl-5-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-pyrimidin-2-one.
What is the SMILES notation for 4-phenyl-6-thiophen-2-yl-5-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-pyrimidin-2-one?
The canonical SMILES for 4-phenyl-6-thiophen-2-yl-5-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-pyrimidin-2-one is O=C1NC(c2cccs2)=C(C(=O)C(F)(F)F)C(c2ccccc2)N1.
What is the InChIKey of 4-phenyl-6-thiophen-2-yl-5-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-pyrimidin-2-one?
The InChIKey is KYLDESXCAWRLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O2S/c17-16(18,19)14(22)11-12(9-5-2-1-3-6-9)20-15(23)21-13(11)10-7-4-8-24-10/h1-8,12H,(H2,20,21,23).
What are the key properties of 4-phenyl-6-thiophen-2-yl-5-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-pyrimidin-2-one?
4-phenyl-6-thiophen-2-yl-5-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-pyrimidin-2-one has a molecular weight of 352.34 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-6-thiophen-2-yl-5-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-pyrimidin-2-one is sourced from PubChem (CID 11245094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).