3-(2-fluoroethyl)-1H-pyrimidine-2,4-dione

C6H7FN2O2 — CID 87497402

IUPAC3-(2-fluoroethyl)-1H-pyrimidine-2,4-dione
SMILESO=c1cc[nH]c(=O)n1CCF
InChIInChI=1S/C6H7FN2O2/c7-2-4-9-5(10)1-3-8-6(9)11/h1,3H,2,4H2,(H,8,11)
InChIKeyRTZOLUHSEABEMD-UHFFFAOYSA-N
MW158.13 g/mol
LogP-0.49
Rot. Bonds2

About 3-(2-fluoroethyl)-1H-pyrimidine-2,4-dione

3-(2-fluoroethyl)-1H-pyrimidine-2,4-dione (PubChem CID 87497402) has the molecular formula C6H7FN2O2 and a molecular weight of 158.13 g/mol. Its IUPAC name is 3-(2-fluoroethyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(2-fluoroethyl)-1H-pyrimidine-2,4-dione
PubChem CID87497402
Molecular FormulaC6H7FN2O2
Molecular Weight158.13 g/mol
Exact Mass158.05
IUPAC Name3-(2-fluoroethyl)-1H-pyrimidine-2,4-dione
SMILESO=c1cc[nH]c(=O)n1CCF
InChIInChI=1S/C6H7FN2O2/c7-2-4-9-5(10)1-3-8-6(9)11/h1,3H,2,4H2,(H,8,11)
InChIKeyRTZOLUHSEABEMD-UHFFFAOYSA-N
XLogP-0.49
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.13
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2-fluoroethyl)-1H-pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-pyrrolidin-1-ylpropyl)-1H-pyrimidine-2,4-dione
CID 107103922
3-oct-7-enyl-1H-pyrimidine-2,4-dione
CID 169034521
3-(2,4-dioxo-1H-pyrimidin-3-yl)propylcarbamic acid
CID 54516772
2-amino-4-(2,4-dioxo-1H-pyrimidin-3-yl)butanamide
CID 142647678
2-(2,4-dioxo-1H-pyrimidin-3-yl)acetamide
CID 103603478
3-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrimidine-2,4-dione
CID 107104005
3-(3-imidazol-1-ylpropyl)-1H-pyrimidine-2,4-dione
CID 107104039
S-[6-(2,4-dioxo-1H-pyrimidin-3-yl)hexyl] 2-methylpropanethioate
CID 169034438
3-[(2R)-2,4,4-trimethylpentyl]-1H-pyrimidine-2,4-dione
CID 176863765
3-(quinolin-4-ylmethyl)-1H-pyrimidine-2,4-dione
CID 107103947
(2,4-dioxo-1H-pyrimidin-3-yl) thiohypofluorite
CID 170007894
7-bromo-1-(2-fluoroethyl)-1,8-naphthyridin-2-one
CID 156789811

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoroethyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-(2-fluoroethyl)-1H-pyrimidine-2,4-dione (CID 87497402) is 3-(2-fluoroethyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-(2-fluoroethyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-(2-fluoroethyl)-1H-pyrimidine-2,4-dione is O=c1cc[nH]c(=O)n1CCF.
What is the InChIKey of 3-(2-fluoroethyl)-1H-pyrimidine-2,4-dione?
The InChIKey is RTZOLUHSEABEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FN2O2/c7-2-4-9-5(10)1-3-8-6(9)11/h1,3H,2,4H2,(H,8,11).
What are the key properties of 3-(2-fluoroethyl)-1H-pyrimidine-2,4-dione?
3-(2-fluoroethyl)-1H-pyrimidine-2,4-dione has a molecular weight of 158.13 g/mol, XLogP of -0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoroethyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 87497402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).