2-[5-(azetidin-3-ylmethoxy)pyrimidin-2-yl]phenol

C14H15N3O2 — CID 136998973

IUPAC2-[5-(azetidin-3-ylmethoxy)pyrimidin-2-yl]phenol
SMILESOc1ccccc1-c1ncc(OCC2CNC2)cn1
InChIInChI=1S/C14H15N3O2/c18-13-4-2-1-3-12(13)14-16-7-11(8-17-14)19-9-10-5-15-6-10/h1-4,7-8,10,15,18H,5-6,9H2
InChIKeyLDXWRWLUMZYVOG-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.45
Rot. Bonds4

About 2-[5-(azetidin-3-ylmethoxy)pyrimidin-2-yl]phenol

2-[5-(azetidin-3-ylmethoxy)pyrimidin-2-yl]phenol (PubChem CID 136998973) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-[5-(azetidin-3-ylmethoxy)pyrimidin-2-yl]phenol.

Molecular Properties

Compound Name2-[5-(azetidin-3-ylmethoxy)pyrimidin-2-yl]phenol
PubChem CID136998973
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name2-[5-(azetidin-3-ylmethoxy)pyrimidin-2-yl]phenol
SMILESOc1ccccc1-c1ncc(OCC2CNC2)cn1
InChIInChI=1S/C14H15N3O2/c18-13-4-2-1-3-12(13)14-16-7-11(8-17-14)19-9-10-5-15-6-10/h1-4,7-8,10,15,18H,5-6,9H2
InChIKeyLDXWRWLUMZYVOG-UHFFFAOYSA-N
XLogP1.45
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(azetidin-3-ylmethoxy)pyrimidin-2-yl]phenol?
The IUPAC name of 2-[5-(azetidin-3-ylmethoxy)pyrimidin-2-yl]phenol (CID 136998973) is 2-[5-(azetidin-3-ylmethoxy)pyrimidin-2-yl]phenol.
What is the SMILES notation for 2-[5-(azetidin-3-ylmethoxy)pyrimidin-2-yl]phenol?
The canonical SMILES for 2-[5-(azetidin-3-ylmethoxy)pyrimidin-2-yl]phenol is Oc1ccccc1-c1ncc(OCC2CNC2)cn1.
What is the InChIKey of 2-[5-(azetidin-3-ylmethoxy)pyrimidin-2-yl]phenol?
The InChIKey is LDXWRWLUMZYVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c18-13-4-2-1-3-12(13)14-16-7-11(8-17-14)19-9-10-5-15-6-10/h1-4,7-8,10,15,18H,5-6,9H2.
What are the key properties of 2-[5-(azetidin-3-ylmethoxy)pyrimidin-2-yl]phenol?
2-[5-(azetidin-3-ylmethoxy)pyrimidin-2-yl]phenol has a molecular weight of 257.29 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(azetidin-3-ylmethoxy)pyrimidin-2-yl]phenol is sourced from PubChem (CID 136998973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).