6-[2-(3-fluoroazetidin-1-yl)ethyl]-1-methyl-3-propan-2-ylpyrimidine-2,4-dione

C13H20FN3O2 — CID 170587535

IUPAC6-[2-(3-fluoroazetidin-1-yl)ethyl]-1-methyl-3-propan-2-ylpyrimidine-2,4-dione
SMILESCC(C)n1c(=O)cc(CCN2CC(F)C2)n(C)c1=O
InChIInChI=1S/C13H20FN3O2/c1-9(2)17-12(18)6-11(15(3)13(17)19)4-5-16-7-10(14)8-16/h6,9-10H,4-5,7-8H2,1-3H3
InChIKeyLQNBZPMRQXZTRB-UHFFFAOYSA-N
MW269.32 g/mol
LogP0.32
Rot. Bonds4

About 6-[2-(3-fluoroazetidin-1-yl)ethyl]-1-methyl-3-propan-2-ylpyrimidine-2,4-dione

6-[2-(3-fluoroazetidin-1-yl)ethyl]-1-methyl-3-propan-2-ylpyrimidine-2,4-dione (PubChem CID 170587535) has the molecular formula C13H20FN3O2 and a molecular weight of 269.32 g/mol. Its IUPAC name is 6-[2-(3-fluoroazetidin-1-yl)ethyl]-1-methyl-3-propan-2-ylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[2-(3-fluoroazetidin-1-yl)ethyl]-1-methyl-3-propan-2-ylpyrimidine-2,4-dione
PubChem CID170587535
Molecular FormulaC13H20FN3O2
Molecular Weight269.32 g/mol
Exact Mass269.15
IUPAC Name6-[2-(3-fluoroazetidin-1-yl)ethyl]-1-methyl-3-propan-2-ylpyrimidine-2,4-dione
SMILESCC(C)n1c(=O)cc(CCN2CC(F)C2)n(C)c1=O
InChIInChI=1S/C13H20FN3O2/c1-9(2)17-12(18)6-11(15(3)13(17)19)4-5-16-7-10(14)8-16/h6,9-10H,4-5,7-8H2,1-3H3
InChIKeyLQNBZPMRQXZTRB-UHFFFAOYSA-N
XLogP0.32
TPSA47.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-fluoroazetidin-1-yl)ethyl]-1-methyl-3-propan-2-ylpyrimidine-2,4-dione?
The IUPAC name of 6-[2-(3-fluoroazetidin-1-yl)ethyl]-1-methyl-3-propan-2-ylpyrimidine-2,4-dione (CID 170587535) is 6-[2-(3-fluoroazetidin-1-yl)ethyl]-1-methyl-3-propan-2-ylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[2-(3-fluoroazetidin-1-yl)ethyl]-1-methyl-3-propan-2-ylpyrimidine-2,4-dione?
The canonical SMILES for 6-[2-(3-fluoroazetidin-1-yl)ethyl]-1-methyl-3-propan-2-ylpyrimidine-2,4-dione is CC(C)n1c(=O)cc(CCN2CC(F)C2)n(C)c1=O.
What is the InChIKey of 6-[2-(3-fluoroazetidin-1-yl)ethyl]-1-methyl-3-propan-2-ylpyrimidine-2,4-dione?
The InChIKey is LQNBZPMRQXZTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O2/c1-9(2)17-12(18)6-11(15(3)13(17)19)4-5-16-7-10(14)8-16/h6,9-10H,4-5,7-8H2,1-3H3.
What are the key properties of 6-[2-(3-fluoroazetidin-1-yl)ethyl]-1-methyl-3-propan-2-ylpyrimidine-2,4-dione?
6-[2-(3-fluoroazetidin-1-yl)ethyl]-1-methyl-3-propan-2-ylpyrimidine-2,4-dione has a molecular weight of 269.32 g/mol, XLogP of 0.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-fluoroazetidin-1-yl)ethyl]-1-methyl-3-propan-2-ylpyrimidine-2,4-dione is sourced from PubChem (CID 170587535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).