3-(3-fluorophenyl)-1-[(2-methylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione

C20H15FN2O2S — CID 53331601

IUPAC3-(3-fluorophenyl)-1-[(2-methylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione
SMILESCc1ccccc1Cn1c(=O)n(-c2cccc(F)c2)c(=O)c2sccc21
InChIInChI=1S/C20H15FN2O2S/c1-13-5-2-3-6-14(13)12-22-17-9-10-26-18(17)19(24)23(20(22)25)16-8-4-7-15(21)11-16/h2-11H,12H2,1H3
InChIKeyPPYCFDPQVTVHCH-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.71
Rot. Bonds3

About 3-(3-fluorophenyl)-1-[(2-methylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione

3-(3-fluorophenyl)-1-[(2-methylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione (PubChem CID 53331601) has the molecular formula C20H15FN2O2S and a molecular weight of 366.42 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-1-[(2-methylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(3-fluorophenyl)-1-[(2-methylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione
PubChem CID53331601
Molecular FormulaC20H15FN2O2S
Molecular Weight366.42 g/mol
Exact Mass366.08
IUPAC Name3-(3-fluorophenyl)-1-[(2-methylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione
SMILESCc1ccccc1Cn1c(=O)n(-c2cccc(F)c2)c(=O)c2sccc21
InChIInChI=1S/C20H15FN2O2S/c1-13-5-2-3-6-14(13)12-22-17-9-10-26-18(17)19(24)23(20(22)25)16-8-4-7-15(21)11-16/h2-11H,12H2,1H3
InChIKeyPPYCFDPQVTVHCH-UHFFFAOYSA-N
XLogP3.71
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(3-fluorophenyl)-1-[(2-methylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione 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 3-(3-fluorophenyl)-1-[(2-methylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 3-(3-fluorophenyl)-1-[(2-methylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione (CID 53331601) is 3-(3-fluorophenyl)-1-[(2-methylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-(3-fluorophenyl)-1-[(2-methylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-(3-fluorophenyl)-1-[(2-methylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione is Cc1ccccc1Cn1c(=O)n(-c2cccc(F)c2)c(=O)c2sccc21.
What is the InChIKey of 3-(3-fluorophenyl)-1-[(2-methylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione?
The InChIKey is PPYCFDPQVTVHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O2S/c1-13-5-2-3-6-14(13)12-22-17-9-10-26-18(17)19(24)23(20(22)25)16-8-4-7-15(21)11-16/h2-11H,12H2,1H3.
What are the key properties of 3-(3-fluorophenyl)-1-[(2-methylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione?
3-(3-fluorophenyl)-1-[(2-methylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione has a molecular weight of 366.42 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-1-[(2-methylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 53331601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).