6-(3-fluoroazetidin-1-yl)-3-methylpyrimidin-4-one

C8H10FN3O — CID 171999304

IUPAC6-(3-fluoroazetidin-1-yl)-3-methylpyrimidin-4-one
SMILESCn1cnc(N2CC(F)C2)cc1=O
InChIInChI=1S/C8H10FN3O/c1-11-5-10-7(2-8(11)13)12-3-6(9)4-12/h2,5-6H,3-4H2,1H3
InChIKeyPZDJHPADPWIBQE-UHFFFAOYSA-N
MW183.19 g/mol
LogP-0.06
Rot. Bonds1

About 6-(3-fluoroazetidin-1-yl)-3-methylpyrimidin-4-one

6-(3-fluoroazetidin-1-yl)-3-methylpyrimidin-4-one (PubChem CID 171999304) has the molecular formula C8H10FN3O and a molecular weight of 183.19 g/mol. Its IUPAC name is 6-(3-fluoroazetidin-1-yl)-3-methylpyrimidin-4-one.

Molecular Properties

Compound Name6-(3-fluoroazetidin-1-yl)-3-methylpyrimidin-4-one
PubChem CID171999304
Molecular FormulaC8H10FN3O
Molecular Weight183.19 g/mol
Exact Mass183.08
IUPAC Name6-(3-fluoroazetidin-1-yl)-3-methylpyrimidin-4-one
SMILESCn1cnc(N2CC(F)C2)cc1=O
InChIInChI=1S/C8H10FN3O/c1-11-5-10-7(2-8(11)13)12-3-6(9)4-12/h2,5-6H,3-4H2,1H3
InChIKeyPZDJHPADPWIBQE-UHFFFAOYSA-N
XLogP-0.06
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.19
LogP ≤ 5-0.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoroazetidin-1-yl)-3-methylpyrimidin-4-one?
The IUPAC name of 6-(3-fluoroazetidin-1-yl)-3-methylpyrimidin-4-one (CID 171999304) is 6-(3-fluoroazetidin-1-yl)-3-methylpyrimidin-4-one.
What is the SMILES notation for 6-(3-fluoroazetidin-1-yl)-3-methylpyrimidin-4-one?
The canonical SMILES for 6-(3-fluoroazetidin-1-yl)-3-methylpyrimidin-4-one is Cn1cnc(N2CC(F)C2)cc1=O.
What is the InChIKey of 6-(3-fluoroazetidin-1-yl)-3-methylpyrimidin-4-one?
The InChIKey is PZDJHPADPWIBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN3O/c1-11-5-10-7(2-8(11)13)12-3-6(9)4-12/h2,5-6H,3-4H2,1H3.
What are the key properties of 6-(3-fluoroazetidin-1-yl)-3-methylpyrimidin-4-one?
6-(3-fluoroazetidin-1-yl)-3-methylpyrimidin-4-one has a molecular weight of 183.19 g/mol, XLogP of -0.06, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoroazetidin-1-yl)-3-methylpyrimidin-4-one is sourced from PubChem (CID 171999304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).