2-fluoroethyl 2-(5-propylpyrimidin-4-yl)acetate

C11H15FN2O2 — CID 59382475

IUPAC2-fluoroethyl 2-(5-propylpyrimidin-4-yl)acetate
SMILESCCCc1cncnc1CC(=O)OCCF
InChIInChI=1S/C11H15FN2O2/c1-2-3-9-7-13-8-14-10(9)6-11(15)16-5-4-12/h7-8H,2-6H2,1H3
InChIKeyMGPZWDXIUWJGQW-UHFFFAOYSA-N
MW226.25 g/mol
LogP1.48
Rot. Bonds6

About 2-fluoroethyl 2-(5-propylpyrimidin-4-yl)acetate

2-fluoroethyl 2-(5-propylpyrimidin-4-yl)acetate (PubChem CID 59382475) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is 2-fluoroethyl 2-(5-propylpyrimidin-4-yl)acetate.

Molecular Properties

Compound Name2-fluoroethyl 2-(5-propylpyrimidin-4-yl)acetate
PubChem CID59382475
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC Name2-fluoroethyl 2-(5-propylpyrimidin-4-yl)acetate
SMILESCCCc1cncnc1CC(=O)OCCF
InChIInChI=1S/C11H15FN2O2/c1-2-3-9-7-13-8-14-10(9)6-11(15)16-5-4-12/h7-8H,2-6H2,1H3
InChIKeyMGPZWDXIUWJGQW-UHFFFAOYSA-N
XLogP1.48
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-fluoroethyl 2-(5-propylpyrimidin-4-yl)acetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoroethyl 2-(5-propylpyrimidin-4-yl)acetate?
The IUPAC name of 2-fluoroethyl 2-(5-propylpyrimidin-4-yl)acetate (CID 59382475) is 2-fluoroethyl 2-(5-propylpyrimidin-4-yl)acetate.
What is the SMILES notation for 2-fluoroethyl 2-(5-propylpyrimidin-4-yl)acetate?
The canonical SMILES for 2-fluoroethyl 2-(5-propylpyrimidin-4-yl)acetate is CCCc1cncnc1CC(=O)OCCF.
What is the InChIKey of 2-fluoroethyl 2-(5-propylpyrimidin-4-yl)acetate?
The InChIKey is MGPZWDXIUWJGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2/c1-2-3-9-7-13-8-14-10(9)6-11(15)16-5-4-12/h7-8H,2-6H2,1H3.
What are the key properties of 2-fluoroethyl 2-(5-propylpyrimidin-4-yl)acetate?
2-fluoroethyl 2-(5-propylpyrimidin-4-yl)acetate has a molecular weight of 226.25 g/mol, XLogP of 1.48, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethyl 2-(5-propylpyrimidin-4-yl)acetate is sourced from PubChem (CID 59382475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).