1-[2-[3-(2-fluorophenoxy)azetidin-1-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione

C16H16FN3O4 — CID 56702315

IUPAC1-[2-[3-(2-fluorophenoxy)azetidin-1-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn(CC(=O)N2CC(Oc3ccccc3F)C2)c(=O)[nH]c1=O
InChIInChI=1S/C16H16FN3O4/c1-10-6-20(16(23)18-15(10)22)9-14(21)19-7-11(8-19)24-13-5-3-2-4-12(13)17/h2-6,11H,7-9H2,1H3,(H,18,22,23)
InChIKeyDLJUFWYIZAKUDA-UHFFFAOYSA-N
MW333.32 g/mol
LogP0.27
Rot. Bonds4

About 1-[2-[3-(2-fluorophenoxy)azetidin-1-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione

1-[2-[3-(2-fluorophenoxy)azetidin-1-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione (PubChem CID 56702315) has the molecular formula C16H16FN3O4 and a molecular weight of 333.32 g/mol. Its IUPAC name is 1-[2-[3-(2-fluorophenoxy)azetidin-1-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[2-[3-(2-fluorophenoxy)azetidin-1-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione
PubChem CID56702315
Molecular FormulaC16H16FN3O4
Molecular Weight333.32 g/mol
Exact Mass333.11
IUPAC Name1-[2-[3-(2-fluorophenoxy)azetidin-1-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn(CC(=O)N2CC(Oc3ccccc3F)C2)c(=O)[nH]c1=O
InChIInChI=1S/C16H16FN3O4/c1-10-6-20(16(23)18-15(10)22)9-14(21)19-7-11(8-19)24-13-5-3-2-4-12(13)17/h2-6,11H,7-9H2,1H3,(H,18,22,23)
InChIKeyDLJUFWYIZAKUDA-UHFFFAOYSA-N
XLogP0.27
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.32
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-[3-(2-fluorophenoxy)azetidin-1-yl]-2-oxoethyl]-5-methylpyrimidine-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

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(2-fluorophenoxy)azetidin-1-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[2-[3-(2-fluorophenoxy)azetidin-1-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione (CID 56702315) is 1-[2-[3-(2-fluorophenoxy)azetidin-1-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[2-[3-(2-fluorophenoxy)azetidin-1-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[2-[3-(2-fluorophenoxy)azetidin-1-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione is Cc1cn(CC(=O)N2CC(Oc3ccccc3F)C2)c(=O)[nH]c1=O.
What is the InChIKey of 1-[2-[3-(2-fluorophenoxy)azetidin-1-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione?
The InChIKey is DLJUFWYIZAKUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O4/c1-10-6-20(16(23)18-15(10)22)9-14(21)19-7-11(8-19)24-13-5-3-2-4-12(13)17/h2-6,11H,7-9H2,1H3,(H,18,22,23).
What are the key properties of 1-[2-[3-(2-fluorophenoxy)azetidin-1-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione?
1-[2-[3-(2-fluorophenoxy)azetidin-1-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione has a molecular weight of 333.32 g/mol, XLogP of 0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(2-fluorophenoxy)azetidin-1-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 56702315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).