2-(azetidin-3-yloxy)-5-fluoropyrimidine

C7H8FN3O — CID 67958385

IUPAC2-(azetidin-3-yloxy)-5-fluoropyrimidine
SMILESFc1cnc(OC2CNC2)nc1
InChIInChI=1S/C7H8FN3O/c8-5-1-10-7(11-2-5)12-6-3-9-4-6/h1-2,6,9H,3-4H2
InChIKeySSHMMHNISPXJLU-UHFFFAOYSA-N
MW169.16 g/mol
LogP-0.03
Rot. Bonds2

About 2-(azetidin-3-yloxy)-5-fluoropyrimidine

2-(azetidin-3-yloxy)-5-fluoropyrimidine (PubChem CID 67958385) has the molecular formula C7H8FN3O and a molecular weight of 169.16 g/mol. Its IUPAC name is 2-(azetidin-3-yloxy)-5-fluoropyrimidine.

Molecular Properties

Compound Name2-(azetidin-3-yloxy)-5-fluoropyrimidine
PubChem CID67958385
Molecular FormulaC7H8FN3O
Molecular Weight169.16 g/mol
Exact Mass169.07
IUPAC Name2-(azetidin-3-yloxy)-5-fluoropyrimidine
SMILESFc1cnc(OC2CNC2)nc1
InChIInChI=1S/C7H8FN3O/c8-5-1-10-7(11-2-5)12-6-3-9-4-6/h1-2,6,9H,3-4H2
InChIKeySSHMMHNISPXJLU-UHFFFAOYSA-N
XLogP-0.03
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.16
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yloxy)-5-fluoropyrimidine?
The IUPAC name of 2-(azetidin-3-yloxy)-5-fluoropyrimidine (CID 67958385) is 2-(azetidin-3-yloxy)-5-fluoropyrimidine.
What is the SMILES notation for 2-(azetidin-3-yloxy)-5-fluoropyrimidine?
The canonical SMILES for 2-(azetidin-3-yloxy)-5-fluoropyrimidine is Fc1cnc(OC2CNC2)nc1.
What is the InChIKey of 2-(azetidin-3-yloxy)-5-fluoropyrimidine?
The InChIKey is SSHMMHNISPXJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FN3O/c8-5-1-10-7(11-2-5)12-6-3-9-4-6/h1-2,6,9H,3-4H2.
What are the key properties of 2-(azetidin-3-yloxy)-5-fluoropyrimidine?
2-(azetidin-3-yloxy)-5-fluoropyrimidine has a molecular weight of 169.16 g/mol, XLogP of -0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yloxy)-5-fluoropyrimidine is sourced from PubChem (CID 67958385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).