5-acetyl-1-(2,2-difluoroethyl)-3-methylpyrimidine-2,4-dione

C9H10F2N2O3 — CID 80649445

IUPAC5-acetyl-1-(2,2-difluoroethyl)-3-methylpyrimidine-2,4-dione
SMILESCC(=O)c1cn(CC(F)F)c(=O)n(C)c1=O
InChIInChI=1S/C9H10F2N2O3/c1-5(14)6-3-13(4-7(10)11)9(16)12(2)8(6)15/h3,7H,4H2,1-2H3
InChIKeyWOPFGPYDYWGBLK-UHFFFAOYSA-N
MW232.19 g/mol
LogP0.01
Rot. Bonds3

About 5-acetyl-1-(2,2-difluoroethyl)-3-methylpyrimidine-2,4-dione

5-acetyl-1-(2,2-difluoroethyl)-3-methylpyrimidine-2,4-dione (PubChem CID 80649445) has the molecular formula C9H10F2N2O3 and a molecular weight of 232.19 g/mol. Its IUPAC name is 5-acetyl-1-(2,2-difluoroethyl)-3-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-acetyl-1-(2,2-difluoroethyl)-3-methylpyrimidine-2,4-dione
PubChem CID80649445
Molecular FormulaC9H10F2N2O3
Molecular Weight232.19 g/mol
Exact Mass232.07
IUPAC Name5-acetyl-1-(2,2-difluoroethyl)-3-methylpyrimidine-2,4-dione
SMILESCC(=O)c1cn(CC(F)F)c(=O)n(C)c1=O
InChIInChI=1S/C9H10F2N2O3/c1-5(14)6-3-13(4-7(10)11)9(16)12(2)8(6)15/h3,7H,4H2,1-2H3
InChIKeyWOPFGPYDYWGBLK-UHFFFAOYSA-N
XLogP0.01
TPSA61.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.19
LogP ≤ 50.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-1-(2,2-difluoroethyl)-3-methylpyrimidine-2,4-dione?
The IUPAC name of 5-acetyl-1-(2,2-difluoroethyl)-3-methylpyrimidine-2,4-dione (CID 80649445) is 5-acetyl-1-(2,2-difluoroethyl)-3-methylpyrimidine-2,4-dione.
What is the SMILES notation for 5-acetyl-1-(2,2-difluoroethyl)-3-methylpyrimidine-2,4-dione?
The canonical SMILES for 5-acetyl-1-(2,2-difluoroethyl)-3-methylpyrimidine-2,4-dione is CC(=O)c1cn(CC(F)F)c(=O)n(C)c1=O.
What is the InChIKey of 5-acetyl-1-(2,2-difluoroethyl)-3-methylpyrimidine-2,4-dione?
The InChIKey is WOPFGPYDYWGBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O3/c1-5(14)6-3-13(4-7(10)11)9(16)12(2)8(6)15/h3,7H,4H2,1-2H3.
What are the key properties of 5-acetyl-1-(2,2-difluoroethyl)-3-methylpyrimidine-2,4-dione?
5-acetyl-1-(2,2-difluoroethyl)-3-methylpyrimidine-2,4-dione has a molecular weight of 232.19 g/mol, XLogP of 0.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-1-(2,2-difluoroethyl)-3-methylpyrimidine-2,4-dione is sourced from PubChem (CID 80649445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).