5-fluoro-4-[2-(2-phenoxyphenyl)ethoxy]-2-phenylmethoxypyrimidine

C25H21FN2O3 — CID 67958447

IUPAC5-fluoro-4-[2-(2-phenoxyphenyl)ethoxy]-2-phenylmethoxypyrimidine
SMILESFc1cnc(OCc2ccccc2)nc1OCCc1ccccc1Oc1ccccc1
InChIInChI=1S/C25H21FN2O3/c26-22-17-27-25(30-18-19-9-3-1-4-10-19)28-24(22)29-16-15-20-11-7-8-14-23(20)31-21-12-5-2-6-13-21/h1-14,17H,15-16,18H2
InChIKeyZSKGLHSSEZZHGX-UHFFFAOYSA-N
MW416.45 g/mol
LogP5.61
Rot. Bonds9

About 5-fluoro-4-[2-(2-phenoxyphenyl)ethoxy]-2-phenylmethoxypyrimidine

5-fluoro-4-[2-(2-phenoxyphenyl)ethoxy]-2-phenylmethoxypyrimidine (PubChem CID 67958447) has the molecular formula C25H21FN2O3 and a molecular weight of 416.45 g/mol. Its IUPAC name is 5-fluoro-4-[2-(2-phenoxyphenyl)ethoxy]-2-phenylmethoxypyrimidine.

Molecular Properties

Compound Name5-fluoro-4-[2-(2-phenoxyphenyl)ethoxy]-2-phenylmethoxypyrimidine
PubChem CID67958447
Molecular FormulaC25H21FN2O3
Molecular Weight416.45 g/mol
Exact Mass416.15
IUPAC Name5-fluoro-4-[2-(2-phenoxyphenyl)ethoxy]-2-phenylmethoxypyrimidine
SMILESFc1cnc(OCc2ccccc2)nc1OCCc1ccccc1Oc1ccccc1
InChIInChI=1S/C25H21FN2O3/c26-22-17-27-25(30-18-19-9-3-1-4-10-19)28-24(22)29-16-15-20-11-7-8-14-23(20)31-21-12-5-2-6-13-21/h1-14,17H,15-16,18H2
InChIKeyZSKGLHSSEZZHGX-UHFFFAOYSA-N
XLogP5.61
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.45
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-[2-(2-phenoxyphenyl)ethoxy]-2-phenylmethoxypyrimidine?
The IUPAC name of 5-fluoro-4-[2-(2-phenoxyphenyl)ethoxy]-2-phenylmethoxypyrimidine (CID 67958447) is 5-fluoro-4-[2-(2-phenoxyphenyl)ethoxy]-2-phenylmethoxypyrimidine.
What is the SMILES notation for 5-fluoro-4-[2-(2-phenoxyphenyl)ethoxy]-2-phenylmethoxypyrimidine?
The canonical SMILES for 5-fluoro-4-[2-(2-phenoxyphenyl)ethoxy]-2-phenylmethoxypyrimidine is Fc1cnc(OCc2ccccc2)nc1OCCc1ccccc1Oc1ccccc1.
What is the InChIKey of 5-fluoro-4-[2-(2-phenoxyphenyl)ethoxy]-2-phenylmethoxypyrimidine?
The InChIKey is ZSKGLHSSEZZHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN2O3/c26-22-17-27-25(30-18-19-9-3-1-4-10-19)28-24(22)29-16-15-20-11-7-8-14-23(20)31-21-12-5-2-6-13-21/h1-14,17H,15-16,18H2.
What are the key properties of 5-fluoro-4-[2-(2-phenoxyphenyl)ethoxy]-2-phenylmethoxypyrimidine?
5-fluoro-4-[2-(2-phenoxyphenyl)ethoxy]-2-phenylmethoxypyrimidine has a molecular weight of 416.45 g/mol, XLogP of 5.61, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-[2-(2-phenoxyphenyl)ethoxy]-2-phenylmethoxypyrimidine is sourced from PubChem (CID 67958447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).