5-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-4-fluoro-2-phenylmethoxypyrimidine

C37H35FN2O5 — CID 123833938

IUPAC5-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-4-fluoro-2-phenylmethoxypyrimidine
SMILESFc1nc(OCc2ccccc2)ncc1C1OC(COCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C37H35FN2O5/c38-36-31(21-39-37(40-36)44-25-30-19-11-4-12-20-30)33-35(43-24-29-17-9-3-10-18-29)34(42-23-28-15-7-2-8-16-28)32(45-33)26-41-22-27-13-5-1-6-14-27/h1-21,32-35H,22-26H2
InChIKeyZYDPAGIVBUPHPX-UHFFFAOYSA-N
MW606.69 g/mol
LogP7.02
Rot. Bonds14

About 5-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-4-fluoro-2-phenylmethoxypyrimidine

5-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-4-fluoro-2-phenylmethoxypyrimidine (PubChem CID 123833938) has the molecular formula C37H35FN2O5 and a molecular weight of 606.69 g/mol. Its IUPAC name is 5-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-4-fluoro-2-phenylmethoxypyrimidine.

Molecular Properties

Compound Name5-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-4-fluoro-2-phenylmethoxypyrimidine
PubChem CID123833938
Molecular FormulaC37H35FN2O5
Molecular Weight606.69 g/mol
Exact Mass606.25
IUPAC Name5-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-4-fluoro-2-phenylmethoxypyrimidine
SMILESFc1nc(OCc2ccccc2)ncc1C1OC(COCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C37H35FN2O5/c38-36-31(21-39-37(40-36)44-25-30-19-11-4-12-20-30)33-35(43-24-29-17-9-3-10-18-29)34(42-23-28-15-7-2-8-16-28)32(45-33)26-41-22-27-13-5-1-6-14-27/h1-21,32-35H,22-26H2
InChIKeyZYDPAGIVBUPHPX-UHFFFAOYSA-N
XLogP7.02
TPSA71.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.69
LogP ≤ 57.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-4-fluoro-2-phenylmethoxypyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-4-fluoro-2-phenylmethoxypyrimidine?
The IUPAC name of 5-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-4-fluoro-2-phenylmethoxypyrimidine (CID 123833938) is 5-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-4-fluoro-2-phenylmethoxypyrimidine.
What is the SMILES notation for 5-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-4-fluoro-2-phenylmethoxypyrimidine?
The canonical SMILES for 5-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-4-fluoro-2-phenylmethoxypyrimidine is Fc1nc(OCc2ccccc2)ncc1C1OC(COCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1.
What is the InChIKey of 5-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-4-fluoro-2-phenylmethoxypyrimidine?
The InChIKey is ZYDPAGIVBUPHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H35FN2O5/c38-36-31(21-39-37(40-36)44-25-30-19-11-4-12-20-30)33-35(43-24-29-17-9-3-10-18-29)34(42-23-28-15-7-2-8-16-28)32(45-33)26-41-22-27-13-5-1-6-14-27/h1-21,32-35H,22-26H2.
What are the key properties of 5-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-4-fluoro-2-phenylmethoxypyrimidine?
5-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-4-fluoro-2-phenylmethoxypyrimidine has a molecular weight of 606.69 g/mol, XLogP of 7.02, 14 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-4-fluoro-2-phenylmethoxypyrimidine is sourced from PubChem (CID 123833938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).