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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-Methoxy-6-oxo-1,6-dihydro-pyrimidin-2-ylsulfanyl)-N-naphthalen-1-yl-propionamide
CID 6501406
2-(4-Methoxy-6-oxo-1,6-dihydro-pyrimidin-2-ylsulfanyl)-N-naphthalen-2-yl-propionamide
CID 6501425
2-[(5-benzyl-4-hydroxy-6-methylpyrimidin-2-yl)sulfanyl]-N-(4-methylphenyl)acetamide
CID 135419136
2-[(4-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-(2-methylphenyl)acetamide
CID 135432371
2-[(4-hydroxy-6-propylpyrimidin-2-yl)sulfanyl]-N-(naphthalen-1-yl)acetamide
CID 135479063
2-{[6-amino-1-(3-methylphenyl)-4-oxo-1,4-dihydro-2-pyrimidinyl]thio}-N-cyclohexylacetamide
CID 2171845
2-[(6-methyl-5-oxo-2,5-dihydro-1,2,4-triazin-3-yl)thio]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 135398997
2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydro-2-pyrimidinyl)sulfanyl]-N-(2-fluorophenyl)acetamide
CID 135401397
2-[(5-benzyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-phenylacetamide
CID 1379557
2-{[6-amino-4-oxo-1-(2-phenylethyl)-1,4-dihydropyrimidin-2-yl]sulfanyl}-N-(4-methylphenyl)acetamide
CID 1521459
N-(4-methylphenyl)-2-[(4-oxo-6-propyl-1,4-dihydro-2-pyrimidinyl)thio]acetamide
CID 135408881
2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 135411087

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).