2-(azetidin-3-yl)-5-(2-fluorophenoxy)pyrimidine

C13H12FN3O — CID 117231373

IUPAC2-(azetidin-3-yl)-5-(2-fluorophenoxy)pyrimidine
SMILESFc1ccccc1Oc1cnc(C2CNC2)nc1
InChIInChI=1S/C13H12FN3O/c14-11-3-1-2-4-12(11)18-10-7-16-13(17-8-10)9-5-15-6-9/h1-4,7-9,15H,5-6H2
InChIKeyZCFZXJBWIHWQSG-UHFFFAOYSA-N
MW245.26 g/mol
LogP2.09
Rot. Bonds3

About 2-(azetidin-3-yl)-5-(2-fluorophenoxy)pyrimidine

2-(azetidin-3-yl)-5-(2-fluorophenoxy)pyrimidine (PubChem CID 117231373) has the molecular formula C13H12FN3O and a molecular weight of 245.26 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-5-(2-fluorophenoxy)pyrimidine.

Molecular Properties

Compound Name2-(azetidin-3-yl)-5-(2-fluorophenoxy)pyrimidine
PubChem CID117231373
Molecular FormulaC13H12FN3O
Molecular Weight245.26 g/mol
Exact Mass245.10
IUPAC Name2-(azetidin-3-yl)-5-(2-fluorophenoxy)pyrimidine
SMILESFc1ccccc1Oc1cnc(C2CNC2)nc1
InChIInChI=1S/C13H12FN3O/c14-11-3-1-2-4-12(11)18-10-7-16-13(17-8-10)9-5-15-6-9/h1-4,7-9,15H,5-6H2
InChIKeyZCFZXJBWIHWQSG-UHFFFAOYSA-N
XLogP2.09
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-fluorophenoxy)-2-piperidin-3-ylpyrimidine
CID 117231387
5-(2-fluorophenoxy)-2-piperidin-1-ylpyrimidine
CID 161189658
1-[5-(2-fluorophenoxy)-2-pyridinyl]piperazine;hydrochloride
CID 70607093
6-[(2-fluorophenoxy)methyl]-3-azabicyclo[3.1.0]hexane
CID 83820223
1,2-bis[2-[2-(2-fluorophenoxy)phenoxy]phenoxy]benzene
CID 22338502
2-(azetidin-3-yl)-5-cyclopropylpyrimidine
CID 59418290
ethane;1-fluoro-2-phenoxybenzene
CID 170962676
3-[4-(2-fluorophenoxy)pyrazol-1-yl]azepane
CID 117124986
2-(2-fluorophenoxy)quinoxaline
CID 10537993
4-(2-fluorophenoxy)-6-methyl-2-piperidin-4-ylpyrimidine
CID 175662265
5-(3-methoxyphenoxy)-2-piperidin-3-ylpyrimidine
CID 117231461
5-(3-methylphenoxy)-2-piperidin-3-ylpyrimidine
CID 117231457

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-5-(2-fluorophenoxy)pyrimidine?
The IUPAC name of 2-(azetidin-3-yl)-5-(2-fluorophenoxy)pyrimidine (CID 117231373) is 2-(azetidin-3-yl)-5-(2-fluorophenoxy)pyrimidine.
What is the SMILES notation for 2-(azetidin-3-yl)-5-(2-fluorophenoxy)pyrimidine?
The canonical SMILES for 2-(azetidin-3-yl)-5-(2-fluorophenoxy)pyrimidine is Fc1ccccc1Oc1cnc(C2CNC2)nc1.
What is the InChIKey of 2-(azetidin-3-yl)-5-(2-fluorophenoxy)pyrimidine?
The InChIKey is ZCFZXJBWIHWQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O/c14-11-3-1-2-4-12(11)18-10-7-16-13(17-8-10)9-5-15-6-9/h1-4,7-9,15H,5-6H2.
What are the key properties of 2-(azetidin-3-yl)-5-(2-fluorophenoxy)pyrimidine?
2-(azetidin-3-yl)-5-(2-fluorophenoxy)pyrimidine has a molecular weight of 245.26 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-5-(2-fluorophenoxy)pyrimidine is sourced from PubChem (CID 117231373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).