5-(4-fluorophenyl)-6-methyl-4-(4-phenylmethoxyphenoxy)thieno[2,3-d]pyrimidine

C26H19FN2O2S — CID 2132427

IUPAC5-(4-fluorophenyl)-6-methyl-4-(4-phenylmethoxyphenoxy)thieno[2,3-d]pyrimidine
SMILESCc1sc2ncnc(Oc3ccc(OCc4ccccc4)cc3)c2c1-c1ccc(F)cc1
InChIInChI=1S/C26H19FN2O2S/c1-17-23(19-7-9-20(27)10-8-19)24-25(28-16-29-26(24)32-17)31-22-13-11-21(12-14-22)30-15-18-5-3-2-4-6-18/h2-14,16H,15H2,1H3
InChIKeyRZINFENXLGXTFB-UHFFFAOYSA-N
MW442.52 g/mol
LogP7.18
Rot. Bonds6

About 5-(4-fluorophenyl)-6-methyl-4-(4-phenylmethoxyphenoxy)thieno[2,3-d]pyrimidine

5-(4-fluorophenyl)-6-methyl-4-(4-phenylmethoxyphenoxy)thieno[2,3-d]pyrimidine (PubChem CID 2132427) has the molecular formula C26H19FN2O2S and a molecular weight of 442.52 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-6-methyl-4-(4-phenylmethoxyphenoxy)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-6-methyl-4-(4-phenylmethoxyphenoxy)thieno[2,3-d]pyrimidine
PubChem CID2132427
Molecular FormulaC26H19FN2O2S
Molecular Weight442.52 g/mol
Exact Mass442.12
IUPAC Name5-(4-fluorophenyl)-6-methyl-4-(4-phenylmethoxyphenoxy)thieno[2,3-d]pyrimidine
SMILESCc1sc2ncnc(Oc3ccc(OCc4ccccc4)cc3)c2c1-c1ccc(F)cc1
InChIInChI=1S/C26H19FN2O2S/c1-17-23(19-7-9-20(27)10-8-19)24-25(28-16-29-26(24)32-17)31-22-13-11-21(12-14-22)30-15-18-5-3-2-4-6-18/h2-14,16H,15H2,1H3
InChIKeyRZINFENXLGXTFB-UHFFFAOYSA-N
XLogP7.18
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.52
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(4-fluorophenyl)-6-methyl-4-(4-phenylmethoxyphenoxy)thieno[2,3-d]pyrimidine 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-(4-fluorophenyl)-6-methyl-4-(4-phenylmethoxyphenoxy)thieno[2,3-d]pyrimidine?
The IUPAC name of 5-(4-fluorophenyl)-6-methyl-4-(4-phenylmethoxyphenoxy)thieno[2,3-d]pyrimidine (CID 2132427) is 5-(4-fluorophenyl)-6-methyl-4-(4-phenylmethoxyphenoxy)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 5-(4-fluorophenyl)-6-methyl-4-(4-phenylmethoxyphenoxy)thieno[2,3-d]pyrimidine?
The canonical SMILES for 5-(4-fluorophenyl)-6-methyl-4-(4-phenylmethoxyphenoxy)thieno[2,3-d]pyrimidine is Cc1sc2ncnc(Oc3ccc(OCc4ccccc4)cc3)c2c1-c1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-6-methyl-4-(4-phenylmethoxyphenoxy)thieno[2,3-d]pyrimidine?
The InChIKey is RZINFENXLGXTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19FN2O2S/c1-17-23(19-7-9-20(27)10-8-19)24-25(28-16-29-26(24)32-17)31-22-13-11-21(12-14-22)30-15-18-5-3-2-4-6-18/h2-14,16H,15H2,1H3.
What are the key properties of 5-(4-fluorophenyl)-6-methyl-4-(4-phenylmethoxyphenoxy)thieno[2,3-d]pyrimidine?
5-(4-fluorophenyl)-6-methyl-4-(4-phenylmethoxyphenoxy)thieno[2,3-d]pyrimidine has a molecular weight of 442.52 g/mol, XLogP of 7.18, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-6-methyl-4-(4-phenylmethoxyphenoxy)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 2132427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).