2-[2-(2-pyrimidin-2-ylphenoxy)phenyl]pyrimidine

C20H14N4O — CID 19708402

IUPAC2-[2-(2-pyrimidin-2-ylphenoxy)phenyl]pyrimidine
SMILESc1cnc(-c2ccccc2Oc2ccccc2-c2ncccn2)nc1
InChIInChI=1S/C20H14N4O/c1-3-9-17(15(7-1)19-21-11-5-12-22-19)25-18-10-4-2-8-16(18)20-23-13-6-14-24-20/h1-14H
InChIKeyLXYUJILEJHRSOM-UHFFFAOYSA-N
MW326.36 g/mol
LogP4.39
Rot. Bonds4

About 2-[2-(2-pyrimidin-2-ylphenoxy)phenyl]pyrimidine

2-[2-(2-pyrimidin-2-ylphenoxy)phenyl]pyrimidine (PubChem CID 19708402) has the molecular formula C20H14N4O and a molecular weight of 326.36 g/mol. Its IUPAC name is 2-[2-(2-pyrimidin-2-ylphenoxy)phenyl]pyrimidine.

Molecular Properties

Compound Name2-[2-(2-pyrimidin-2-ylphenoxy)phenyl]pyrimidine
PubChem CID19708402
Molecular FormulaC20H14N4O
Molecular Weight326.36 g/mol
Exact Mass326.12
IUPAC Name2-[2-(2-pyrimidin-2-ylphenoxy)phenyl]pyrimidine
SMILESc1cnc(-c2ccccc2Oc2ccccc2-c2ncccn2)nc1
InChIInChI=1S/C20H14N4O/c1-3-9-17(15(7-1)19-21-11-5-12-22-19)25-18-10-4-2-8-16(18)20-23-13-6-14-24-20/h1-14H
InChIKeyLXYUJILEJHRSOM-UHFFFAOYSA-N
XLogP4.39
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-pyrimidin-2-ylphenoxy)phenyl]pyrimidine?
The IUPAC name of 2-[2-(2-pyrimidin-2-ylphenoxy)phenyl]pyrimidine (CID 19708402) is 2-[2-(2-pyrimidin-2-ylphenoxy)phenyl]pyrimidine.
What is the SMILES notation for 2-[2-(2-pyrimidin-2-ylphenoxy)phenyl]pyrimidine?
The canonical SMILES for 2-[2-(2-pyrimidin-2-ylphenoxy)phenyl]pyrimidine is c1cnc(-c2ccccc2Oc2ccccc2-c2ncccn2)nc1.
What is the InChIKey of 2-[2-(2-pyrimidin-2-ylphenoxy)phenyl]pyrimidine?
The InChIKey is LXYUJILEJHRSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O/c1-3-9-17(15(7-1)19-21-11-5-12-22-19)25-18-10-4-2-8-16(18)20-23-13-6-14-24-20/h1-14H.
What are the key properties of 2-[2-(2-pyrimidin-2-ylphenoxy)phenyl]pyrimidine?
2-[2-(2-pyrimidin-2-ylphenoxy)phenyl]pyrimidine has a molecular weight of 326.36 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-pyrimidin-2-ylphenoxy)phenyl]pyrimidine is sourced from PubChem (CID 19708402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).