5-acetyl-3-(2-fluoro-5-methylphenyl)-1H-pyrimidine-2,4-dione

C13H11FN2O3 — CID 80643121

IUPAC5-acetyl-3-(2-fluoro-5-methylphenyl)-1H-pyrimidine-2,4-dione
SMILESCC(=O)c1c[nH]c(=O)n(-c2cc(C)ccc2F)c1=O
InChIInChI=1S/C13H11FN2O3/c1-7-3-4-10(14)11(5-7)16-12(18)9(8(2)17)6-15-13(16)19/h3-6H,1-2H3,(H,15,19)
InChIKeyFQHNWVTYUIPSHW-UHFFFAOYSA-N
MW262.24 g/mol
LogP1.18
Rot. Bonds2

About 5-acetyl-3-(2-fluoro-5-methylphenyl)-1H-pyrimidine-2,4-dione

5-acetyl-3-(2-fluoro-5-methylphenyl)-1H-pyrimidine-2,4-dione (PubChem CID 80643121) has the molecular formula C13H11FN2O3 and a molecular weight of 262.24 g/mol. Its IUPAC name is 5-acetyl-3-(2-fluoro-5-methylphenyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-acetyl-3-(2-fluoro-5-methylphenyl)-1H-pyrimidine-2,4-dione
PubChem CID80643121
Molecular FormulaC13H11FN2O3
Molecular Weight262.24 g/mol
Exact Mass262.08
IUPAC Name5-acetyl-3-(2-fluoro-5-methylphenyl)-1H-pyrimidine-2,4-dione
SMILESCC(=O)c1c[nH]c(=O)n(-c2cc(C)ccc2F)c1=O
InChIInChI=1S/C13H11FN2O3/c1-7-3-4-10(14)11(5-7)16-12(18)9(8(2)17)6-15-13(16)19/h3-6H,1-2H3,(H,15,19)
InChIKeyFQHNWVTYUIPSHW-UHFFFAOYSA-N
XLogP1.18
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.24
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-3-(2-fluoro-5-methylphenyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-acetyl-3-(2-fluoro-5-methylphenyl)-1H-pyrimidine-2,4-dione (CID 80643121) is 5-acetyl-3-(2-fluoro-5-methylphenyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-acetyl-3-(2-fluoro-5-methylphenyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-acetyl-3-(2-fluoro-5-methylphenyl)-1H-pyrimidine-2,4-dione is CC(=O)c1c[nH]c(=O)n(-c2cc(C)ccc2F)c1=O.
What is the InChIKey of 5-acetyl-3-(2-fluoro-5-methylphenyl)-1H-pyrimidine-2,4-dione?
The InChIKey is FQHNWVTYUIPSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O3/c1-7-3-4-10(14)11(5-7)16-12(18)9(8(2)17)6-15-13(16)19/h3-6H,1-2H3,(H,15,19).
What are the key properties of 5-acetyl-3-(2-fluoro-5-methylphenyl)-1H-pyrimidine-2,4-dione?
5-acetyl-3-(2-fluoro-5-methylphenyl)-1H-pyrimidine-2,4-dione has a molecular weight of 262.24 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-3-(2-fluoro-5-methylphenyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 80643121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).