2-[1-(2-fluorophenyl)-4-hydroxy-6-oxopyrimidin-2-yl]sulfanyl-N-methyl-N-phenylacetamide

C19H16FN3O3S — CID 135402173

IUPAC2-[1-(2-fluorophenyl)-4-hydroxy-6-oxopyrimidin-2-yl]sulfanyl-N-methyl-N-phenylacetamide
SMILESCN(C(=O)CSc1nc(O)cc(=O)n1-c1ccccc1F)c1ccccc1
InChIInChI=1S/C19H16FN3O3S/c1-22(13-7-3-2-4-8-13)18(26)12-27-19-21-16(24)11-17(25)23(19)15-10-6-5-9-14(15)20/h2-11,24H,12H2,1H3
InChIKeyNMGDRYAVBAHIJM-UHFFFAOYSA-N
MW385.42 g/mol
LogP2.83
Rot. Bonds5

About 2-[1-(2-fluorophenyl)-4-hydroxy-6-oxopyrimidin-2-yl]sulfanyl-N-methyl-N-phenylacetamide

2-[1-(2-fluorophenyl)-4-hydroxy-6-oxopyrimidin-2-yl]sulfanyl-N-methyl-N-phenylacetamide (PubChem CID 135402173) has the molecular formula C19H16FN3O3S and a molecular weight of 385.42 g/mol. Its IUPAC name is 2-[1-(2-fluorophenyl)-4-hydroxy-6-oxopyrimidin-2-yl]sulfanyl-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[1-(2-fluorophenyl)-4-hydroxy-6-oxopyrimidin-2-yl]sulfanyl-N-methyl-N-phenylacetamide
PubChem CID135402173
Molecular FormulaC19H16FN3O3S
Molecular Weight385.42 g/mol
Exact Mass385.09
IUPAC Name2-[1-(2-fluorophenyl)-4-hydroxy-6-oxopyrimidin-2-yl]sulfanyl-N-methyl-N-phenylacetamide
SMILESCN(C(=O)CSc1nc(O)cc(=O)n1-c1ccccc1F)c1ccccc1
InChIInChI=1S/C19H16FN3O3S/c1-22(13-7-3-2-4-8-13)18(26)12-27-19-21-16(24)11-17(25)23(19)15-10-6-5-9-14(15)20/h2-11,24H,12H2,1H3
InChIKeyNMGDRYAVBAHIJM-UHFFFAOYSA-N
XLogP2.83
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluorophenyl)-4-hydroxy-6-oxopyrimidin-2-yl]sulfanyl-N-methyl-N-phenylacetamide?
The IUPAC name of 2-[1-(2-fluorophenyl)-4-hydroxy-6-oxopyrimidin-2-yl]sulfanyl-N-methyl-N-phenylacetamide (CID 135402173) is 2-[1-(2-fluorophenyl)-4-hydroxy-6-oxopyrimidin-2-yl]sulfanyl-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-[1-(2-fluorophenyl)-4-hydroxy-6-oxopyrimidin-2-yl]sulfanyl-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-[1-(2-fluorophenyl)-4-hydroxy-6-oxopyrimidin-2-yl]sulfanyl-N-methyl-N-phenylacetamide is CN(C(=O)CSc1nc(O)cc(=O)n1-c1ccccc1F)c1ccccc1.
What is the InChIKey of 2-[1-(2-fluorophenyl)-4-hydroxy-6-oxopyrimidin-2-yl]sulfanyl-N-methyl-N-phenylacetamide?
The InChIKey is NMGDRYAVBAHIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O3S/c1-22(13-7-3-2-4-8-13)18(26)12-27-19-21-16(24)11-17(25)23(19)15-10-6-5-9-14(15)20/h2-11,24H,12H2,1H3.
What are the key properties of 2-[1-(2-fluorophenyl)-4-hydroxy-6-oxopyrimidin-2-yl]sulfanyl-N-methyl-N-phenylacetamide?
2-[1-(2-fluorophenyl)-4-hydroxy-6-oxopyrimidin-2-yl]sulfanyl-N-methyl-N-phenylacetamide has a molecular weight of 385.42 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluorophenyl)-4-hydroxy-6-oxopyrimidin-2-yl]sulfanyl-N-methyl-N-phenylacetamide is sourced from PubChem (CID 135402173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).