5-phenyl-4-phenylmethoxythieno[2,3-d]pyrimidine

C19H14N2OS — CID 24684546

IUPAC5-phenyl-4-phenylmethoxythieno[2,3-d]pyrimidine
SMILESc1ccc(COc2ncnc3scc(-c4ccccc4)c23)cc1
InChIInChI=1S/C19H14N2OS/c1-3-7-14(8-4-1)11-22-18-17-16(15-9-5-2-6-10-15)12-23-19(17)21-13-20-18/h1-10,12-13H,11H2
InChIKeyATHKXFSUOICPIX-UHFFFAOYSA-N
MW318.40 g/mol
LogP4.94
Rot. Bonds4

About 5-phenyl-4-phenylmethoxythieno[2,3-d]pyrimidine

5-phenyl-4-phenylmethoxythieno[2,3-d]pyrimidine (PubChem CID 24684546) has the molecular formula C19H14N2OS and a molecular weight of 318.40 g/mol. Its IUPAC name is 5-phenyl-4-phenylmethoxythieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name5-phenyl-4-phenylmethoxythieno[2,3-d]pyrimidine
PubChem CID24684546
Molecular FormulaC19H14N2OS
Molecular Weight318.40 g/mol
Exact Mass318.08
IUPAC Name5-phenyl-4-phenylmethoxythieno[2,3-d]pyrimidine
SMILESc1ccc(COc2ncnc3scc(-c4ccccc4)c23)cc1
InChIInChI=1S/C19H14N2OS/c1-3-7-14(8-4-1)11-22-18-17-16(15-9-5-2-6-10-15)12-23-19(17)21-13-20-18/h1-10,12-13H,11H2
InChIKeyATHKXFSUOICPIX-UHFFFAOYSA-N
XLogP4.94
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-phenyl-4-phenylmethoxythieno[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-phenyl-4-phenylmethoxythieno[2,3-d]pyrimidine?
The IUPAC name of 5-phenyl-4-phenylmethoxythieno[2,3-d]pyrimidine (CID 24684546) is 5-phenyl-4-phenylmethoxythieno[2,3-d]pyrimidine.
What is the SMILES notation for 5-phenyl-4-phenylmethoxythieno[2,3-d]pyrimidine?
The canonical SMILES for 5-phenyl-4-phenylmethoxythieno[2,3-d]pyrimidine is c1ccc(COc2ncnc3scc(-c4ccccc4)c23)cc1.
What is the InChIKey of 5-phenyl-4-phenylmethoxythieno[2,3-d]pyrimidine?
The InChIKey is ATHKXFSUOICPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2OS/c1-3-7-14(8-4-1)11-22-18-17-16(15-9-5-2-6-10-15)12-23-19(17)21-13-20-18/h1-10,12-13H,11H2.
What are the key properties of 5-phenyl-4-phenylmethoxythieno[2,3-d]pyrimidine?
5-phenyl-4-phenylmethoxythieno[2,3-d]pyrimidine has a molecular weight of 318.40 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-4-phenylmethoxythieno[2,3-d]pyrimidine is sourced from PubChem (CID 24684546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).