3-benzyl-5-fluoro-1H-pyrimidine-2,4-dione;silver

C11H9AgFN2O2 — CID 88760860

IUPAC3-benzyl-5-fluoro-1H-pyrimidine-2,4-dione;silver
SMILESO=c1[nH]cc(F)c(=O)n1Cc1ccccc1.[Ag]
InChIInChI=1S/C11H9FN2O2.Ag/c12-9-6-13-11(16)14(10(9)15)7-8-4-2-1-3-5-8;/h1-6H,7H2,(H,13,16);
InChIKeyQXVUTFQLBYPFRC-UHFFFAOYSA-N
MW328.07 g/mol
LogP0.72
Rot. Bonds2

About 3-benzyl-5-fluoro-1H-pyrimidine-2,4-dione;silver

3-benzyl-5-fluoro-1H-pyrimidine-2,4-dione;silver (PubChem CID 88760860) has the molecular formula C11H9AgFN2O2 and a molecular weight of 328.07 g/mol. Its IUPAC name is 3-benzyl-5-fluoro-1H-pyrimidine-2,4-dione;silver.

Molecular Properties

Compound Name3-benzyl-5-fluoro-1H-pyrimidine-2,4-dione;silver
PubChem CID88760860
Molecular FormulaC11H9AgFN2O2
Molecular Weight328.07 g/mol
Exact Mass326.97
IUPAC Name3-benzyl-5-fluoro-1H-pyrimidine-2,4-dione;silver
SMILESO=c1[nH]cc(F)c(=O)n1Cc1ccccc1.[Ag]
InChIInChI=1S/C11H9FN2O2.Ag/c12-9-6-13-11(16)14(10(9)15)7-8-4-2-1-3-5-8;/h1-6H,7H2,(H,13,16);
InChIKeyQXVUTFQLBYPFRC-UHFFFAOYSA-N
XLogP0.72
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.07
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-3-(phenylmethoxymethyl)-1H-pyrimidine-2,4-dione
CID 139330532
5-amino-3-benzyl-1H-pyrimidine-2,4-dione
CID 15659209
5-bromo-3-[(4-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione
CID 58122374
3-benzyl-N-[(2,6-difluorophenyl)methyl]-2-oxo-1H-imidazole-4-carboxamide
CID 112522455
3-[(2-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxylic acid
CID 165435259
3-benzyl-4-fluoro-1H-benzimidazol-2-one
CID 83415339
6-chloro-3-[(4-chlorophenyl)methyl]-5-fluoro-1H-pyrimidine-2,4-dione
CID 113404444
1-benzyl-5-fluoropyrimidine-2,4-dione;silver
CID 88760858
5-acetyl-3-[(2-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione
CID 80642970
2,6-dibenzylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 633879
3-[(2-fluorophenyl)methyl]-2,4-dioxo-N-(4-phenylbutan-2-yl)-1H-pyrimidine-5-carboxamide
CID 121026899
4-benzyl-1,2,4-thiadiazolidine-3,5-dione
CID 22507205

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-fluoro-1H-pyrimidine-2,4-dione;silver?
The IUPAC name of 3-benzyl-5-fluoro-1H-pyrimidine-2,4-dione;silver (CID 88760860) is 3-benzyl-5-fluoro-1H-pyrimidine-2,4-dione;silver.
What is the SMILES notation for 3-benzyl-5-fluoro-1H-pyrimidine-2,4-dione;silver?
The canonical SMILES for 3-benzyl-5-fluoro-1H-pyrimidine-2,4-dione;silver is O=c1[nH]cc(F)c(=O)n1Cc1ccccc1.[Ag].
What is the InChIKey of 3-benzyl-5-fluoro-1H-pyrimidine-2,4-dione;silver?
The InChIKey is QXVUTFQLBYPFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O2.Ag/c12-9-6-13-11(16)14(10(9)15)7-8-4-2-1-3-5-8;/h1-6H,7H2,(H,13,16);.
What are the key properties of 3-benzyl-5-fluoro-1H-pyrimidine-2,4-dione;silver?
3-benzyl-5-fluoro-1H-pyrimidine-2,4-dione;silver has a molecular weight of 328.07 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-fluoro-1H-pyrimidine-2,4-dione;silver is sourced from PubChem (CID 88760860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).