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

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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).