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

C9H11FN2O3 — CID 80694434

IUPAC5-acetyl-1-(2-fluoroethyl)-3-methylpyrimidine-2,4-dione
SMILESCC(=O)c1cn(CCF)c(=O)n(C)c1=O
InChIInChI=1S/C9H11FN2O3/c1-6(13)7-5-12(4-3-10)9(15)11(2)8(7)14/h5H,3-4H2,1-2H3
InChIKeyVOTXVOBLEFMOEU-UHFFFAOYSA-N
MW214.20 g/mol
LogP-0.28
Rot. Bonds3

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

5-acetyl-1-(2-fluoroethyl)-3-methylpyrimidine-2,4-dione (PubChem CID 80694434) has the molecular formula C9H11FN2O3 and a molecular weight of 214.20 g/mol. Its IUPAC name is 5-acetyl-1-(2-fluoroethyl)-3-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-acetyl-1-(2-fluoroethyl)-3-methylpyrimidine-2,4-dione
PubChem CID80694434
Molecular FormulaC9H11FN2O3
Molecular Weight214.20 g/mol
Exact Mass214.08
IUPAC Name5-acetyl-1-(2-fluoroethyl)-3-methylpyrimidine-2,4-dione
SMILESCC(=O)c1cn(CCF)c(=O)n(C)c1=O
InChIInChI=1S/C9H11FN2O3/c1-6(13)7-5-12(4-3-10)9(15)11(2)8(7)14/h5H,3-4H2,1-2H3
InChIKeyVOTXVOBLEFMOEU-UHFFFAOYSA-N
XLogP-0.28
TPSA61.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.20
LogP ≤ 5-0.28
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-fluoroethyl)-3-methylpyrimidine-2,4-dione?
The IUPAC name of 5-acetyl-1-(2-fluoroethyl)-3-methylpyrimidine-2,4-dione (CID 80694434) is 5-acetyl-1-(2-fluoroethyl)-3-methylpyrimidine-2,4-dione.
What is the SMILES notation for 5-acetyl-1-(2-fluoroethyl)-3-methylpyrimidine-2,4-dione?
The canonical SMILES for 5-acetyl-1-(2-fluoroethyl)-3-methylpyrimidine-2,4-dione is CC(=O)c1cn(CCF)c(=O)n(C)c1=O.
What is the InChIKey of 5-acetyl-1-(2-fluoroethyl)-3-methylpyrimidine-2,4-dione?
The InChIKey is VOTXVOBLEFMOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O3/c1-6(13)7-5-12(4-3-10)9(15)11(2)8(7)14/h5H,3-4H2,1-2H3.
What are the key properties of 5-acetyl-1-(2-fluoroethyl)-3-methylpyrimidine-2,4-dione?
5-acetyl-1-(2-fluoroethyl)-3-methylpyrimidine-2,4-dione has a molecular weight of 214.20 g/mol, XLogP of -0.28, 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-fluoroethyl)-3-methylpyrimidine-2,4-dione is sourced from PubChem (CID 80694434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).