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

C13H11FN2O3 — CID 54535626

IUPAC1-acetyl-5-fluoro-3-(2-methylphenyl)pyrimidine-2,4-dione
SMILESCC(=O)n1cc(F)c(=O)n(-c2ccccc2C)c1=O
InChIInChI=1S/C13H11FN2O3/c1-8-5-3-4-6-11(8)16-12(18)10(14)7-15(9(2)17)13(16)19/h3-7H,1-2H3
InChIKeyYZONFYDGFVRFEN-UHFFFAOYSA-N
MW262.24 g/mol
LogP1.11
Rot. Bonds1

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

1-acetyl-5-fluoro-3-(2-methylphenyl)pyrimidine-2,4-dione (PubChem CID 54535626) has the molecular formula C13H11FN2O3 and a molecular weight of 262.24 g/mol. Its IUPAC name is 1-acetyl-5-fluoro-3-(2-methylphenyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-acetyl-5-fluoro-3-(2-methylphenyl)pyrimidine-2,4-dione
PubChem CID54535626
Molecular FormulaC13H11FN2O3
Molecular Weight262.24 g/mol
Exact Mass262.08
IUPAC Name1-acetyl-5-fluoro-3-(2-methylphenyl)pyrimidine-2,4-dione
SMILESCC(=O)n1cc(F)c(=O)n(-c2ccccc2C)c1=O
InChIInChI=1S/C13H11FN2O3/c1-8-5-3-4-6-11(8)16-12(18)10(14)7-15(9(2)17)13(16)19/h3-7H,1-2H3
InChIKeyYZONFYDGFVRFEN-UHFFFAOYSA-N
XLogP1.11
TPSA61.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.24
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-5-fluoro-3-(2-methylphenyl)pyrimidine-2,4-dione?
The IUPAC name of 1-acetyl-5-fluoro-3-(2-methylphenyl)pyrimidine-2,4-dione (CID 54535626) is 1-acetyl-5-fluoro-3-(2-methylphenyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-acetyl-5-fluoro-3-(2-methylphenyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-acetyl-5-fluoro-3-(2-methylphenyl)pyrimidine-2,4-dione is CC(=O)n1cc(F)c(=O)n(-c2ccccc2C)c1=O.
What is the InChIKey of 1-acetyl-5-fluoro-3-(2-methylphenyl)pyrimidine-2,4-dione?
The InChIKey is YZONFYDGFVRFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O3/c1-8-5-3-4-6-11(8)16-12(18)10(14)7-15(9(2)17)13(16)19/h3-7H,1-2H3.
What are the key properties of 1-acetyl-5-fluoro-3-(2-methylphenyl)pyrimidine-2,4-dione?
1-acetyl-5-fluoro-3-(2-methylphenyl)pyrimidine-2,4-dione has a molecular weight of 262.24 g/mol, XLogP of 1.11, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-5-fluoro-3-(2-methylphenyl)pyrimidine-2,4-dione is sourced from PubChem (CID 54535626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).