2-(4-hydroxy-5-methyl-6-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide

C20H16F3N3O3S — CID 135399402

IUPAC2-(4-hydroxy-5-methyl-6-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCc1c(O)nc(SCC(=O)Nc2cccc(C(F)(F)F)c2)n(-c2ccccc2)c1=O
InChIInChI=1S/C20H16F3N3O3S/c1-12-17(28)25-19(26(18(12)29)15-8-3-2-4-9-15)30-11-16(27)24-14-7-5-6-13(10-14)20(21,22)23/h2-10,28H,11H2,1H3,(H,24,27)
InChIKeyBLFQDKOZOKTDKB-UHFFFAOYSA-N
MW435.43 g/mol
LogP4.00
Rot. Bonds5

About 2-(4-hydroxy-5-methyl-6-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide

2-(4-hydroxy-5-methyl-6-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 135399402) has the molecular formula C20H16F3N3O3S and a molecular weight of 435.43 g/mol. Its IUPAC name is 2-(4-hydroxy-5-methyl-6-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-hydroxy-5-methyl-6-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID135399402
Molecular FormulaC20H16F3N3O3S
Molecular Weight435.43 g/mol
Exact Mass435.09
IUPAC Name2-(4-hydroxy-5-methyl-6-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCc1c(O)nc(SCC(=O)Nc2cccc(C(F)(F)F)c2)n(-c2ccccc2)c1=O
InChIInChI=1S/C20H16F3N3O3S/c1-12-17(28)25-19(26(18(12)29)15-8-3-2-4-9-15)30-11-16(27)24-14-7-5-6-13(10-14)20(21,22)23/h2-10,28H,11H2,1H3,(H,24,27)
InChIKeyBLFQDKOZOKTDKB-UHFFFAOYSA-N
XLogP4.00
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.43
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-5-methyl-6-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(4-hydroxy-5-methyl-6-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide (CID 135399402) is 2-(4-hydroxy-5-methyl-6-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-hydroxy-5-methyl-6-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(4-hydroxy-5-methyl-6-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide is Cc1c(O)nc(SCC(=O)Nc2cccc(C(F)(F)F)c2)n(-c2ccccc2)c1=O.
What is the InChIKey of 2-(4-hydroxy-5-methyl-6-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is BLFQDKOZOKTDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O3S/c1-12-17(28)25-19(26(18(12)29)15-8-3-2-4-9-15)30-11-16(27)24-14-7-5-6-13(10-14)20(21,22)23/h2-10,28H,11H2,1H3,(H,24,27).
What are the key properties of 2-(4-hydroxy-5-methyl-6-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide?
2-(4-hydroxy-5-methyl-6-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 435.43 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-5-methyl-6-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 135399402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).