4-ethyl-N-[5-fluoro-1-[5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide

C18H20FN3O4 — CID 10193746

IUPAC4-ethyl-N-[5-fluoro-1-[5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
SMILESCCc1ccc(C(=O)Nc2nc(=O)n(C3CCC(CO)O3)cc2F)cc1
InChIInChI=1S/C18H20FN3O4/c1-2-11-3-5-12(6-4-11)17(24)20-16-14(19)9-22(18(25)21-16)15-8-7-13(10-23)26-15/h3-6,9,13,15,23H,2,7-8,10H2,1H3,(H,20,21,24,25)
InChIKeyYKAJGTRQPHLWRH-UHFFFAOYSA-N
MW361.37 g/mol
LogP1.87
Rot. Bonds5

About 4-ethyl-N-[5-fluoro-1-[5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide

4-ethyl-N-[5-fluoro-1-[5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide (PubChem CID 10193746) has the molecular formula C18H20FN3O4 and a molecular weight of 361.37 g/mol. Its IUPAC name is 4-ethyl-N-[5-fluoro-1-[5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide.

Molecular Properties

Compound Name4-ethyl-N-[5-fluoro-1-[5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
PubChem CID10193746
Molecular FormulaC18H20FN3O4
Molecular Weight361.37 g/mol
Exact Mass361.14
IUPAC Name4-ethyl-N-[5-fluoro-1-[5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
SMILESCCc1ccc(C(=O)Nc2nc(=O)n(C3CCC(CO)O3)cc2F)cc1
InChIInChI=1S/C18H20FN3O4/c1-2-11-3-5-12(6-4-11)17(24)20-16-14(19)9-22(18(25)21-16)15-8-7-13(10-23)26-15/h3-6,9,13,15,23H,2,7-8,10H2,1H3,(H,20,21,24,25)
InChIKeyYKAJGTRQPHLWRH-UHFFFAOYSA-N
XLogP1.87
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[(2R,5R)-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
CID 678698
4-chloro-N-[5-fluoro-1-[5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-2-oxopyrimidin-4-yl]benzamide
CID 10237167
N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]-4-ethoxybenzamide
CID 54533827
4-acetyl-N-[3-[4-amino-1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-5-yl]prop-2-ynyl]benzamide
CID 121487041
N-[1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]pyridine-3-carboxamide
CID 57172039
N-[5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]-2-propylpentanamide
CID 153399309
1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one
CID 70367080
4-amino-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;methanol
CID 142192944
[5-(4-benzamido-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl 4-methoxybenzoate
CID 155887060
2-amino-5-fluoro-7-[5-(hydroxymethyl)oxolan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one;methanol
CID 164882319
S-[8-(hydroxyamino)-8-oxooctyl] N-[5-fluoro-1-[(2R,5R)-5-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]carbamothioate
CID 88880731
[5-fluoro-1-(6-methyl-7-oxo-5-oxaspiro[2.4]heptan-4-yl)-2-oxopyrimidin-4-yl]carbamic acid
CID 91556166

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[5-fluoro-1-[5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide?
The IUPAC name of 4-ethyl-N-[5-fluoro-1-[5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide (CID 10193746) is 4-ethyl-N-[5-fluoro-1-[5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide.
What is the SMILES notation for 4-ethyl-N-[5-fluoro-1-[5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide?
The canonical SMILES for 4-ethyl-N-[5-fluoro-1-[5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide is CCc1ccc(C(=O)Nc2nc(=O)n(C3CCC(CO)O3)cc2F)cc1.
What is the InChIKey of 4-ethyl-N-[5-fluoro-1-[5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide?
The InChIKey is YKAJGTRQPHLWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O4/c1-2-11-3-5-12(6-4-11)17(24)20-16-14(19)9-22(18(25)21-16)15-8-7-13(10-23)26-15/h3-6,9,13,15,23H,2,7-8,10H2,1H3,(H,20,21,24,25).
What are the key properties of 4-ethyl-N-[5-fluoro-1-[5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide?
4-ethyl-N-[5-fluoro-1-[5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide has a molecular weight of 361.37 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[5-fluoro-1-[5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide is sourced from PubChem (CID 10193746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).