3-(2,5-difluorophenyl)-1-[(3-fluorophenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione

C19H11F3N2O2S — CID 22427932

IUPAC3-(2,5-difluorophenyl)-1-[(3-fluorophenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione
SMILESO=c1c2sccc2n(Cc2cccc(F)c2)c(=O)n1-c1cc(F)ccc1F
InChIInChI=1S/C19H11F3N2O2S/c20-12-3-1-2-11(8-12)10-23-15-6-7-27-17(15)18(25)24(19(23)26)16-9-13(21)4-5-14(16)22/h1-9H,10H2
InChIKeyHAZFPOUCBNOUCN-UHFFFAOYSA-N
MW388.37 g/mol
LogP3.68
Rot. Bonds3

About 3-(2,5-difluorophenyl)-1-[(3-fluorophenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione

3-(2,5-difluorophenyl)-1-[(3-fluorophenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione (PubChem CID 22427932) has the molecular formula C19H11F3N2O2S and a molecular weight of 388.37 g/mol. Its IUPAC name is 3-(2,5-difluorophenyl)-1-[(3-fluorophenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(2,5-difluorophenyl)-1-[(3-fluorophenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione
PubChem CID22427932
Molecular FormulaC19H11F3N2O2S
Molecular Weight388.37 g/mol
Exact Mass388.05
IUPAC Name3-(2,5-difluorophenyl)-1-[(3-fluorophenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione
SMILESO=c1c2sccc2n(Cc2cccc(F)c2)c(=O)n1-c1cc(F)ccc1F
InChIInChI=1S/C19H11F3N2O2S/c20-12-3-1-2-11(8-12)10-23-15-6-7-27-17(15)18(25)24(19(23)26)16-9-13(21)4-5-14(16)22/h1-9H,10H2
InChIKeyHAZFPOUCBNOUCN-UHFFFAOYSA-N
XLogP3.68
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.37
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(2,5-difluorophenyl)-1-[(3-fluorophenyl)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

Related Compounds

1-[(4-chlorophenyl)methyl]-3-(3-fluorophenyl)thieno[3,2-d]pyrimidine-2,4-dione
CID 53331619
1-[(2,5-difluorophenyl)methyl]-3-(2-fluorophenyl)thieno[3,2-d]pyrimidine-2,4-dione
CID 53331598
3-(2,4-difluorophenyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)thieno[3,2-d]pyrimidine-2,4-dione
CID 66502624
1-[(3,4-difluorophenyl)methyl]-3-(2-methylphenyl)thieno[3,2-d]pyrimidine-2,4-dione
CID 53331543
3-(3-fluorophenyl)-1-[(2-fluorophenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione
CID 53331613
1-benzyl-3-(4-chlorophenyl)thieno[3,2-d]pyrimidine-2,4-dione
CID 53331622
3-(3-fluorophenyl)-1-[(2-methylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione
CID 53331601
1-[(3-fluoro-4-methoxyphenyl)methyl]-3-(2-methylphenyl)thieno[3,2-d]pyrimidine-2,4-dione
CID 53331541
3-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione
CID 22428041
1-benzyl-3-(3-methylphenyl)thieno[3,2-d]pyrimidine-2,4-dione
CID 53331547
2-[3-(2,4-difluorophenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 22428088
2-[3-(2,4-difluorophenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-methyl-N-phenylacetamide
CID 5228473

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluorophenyl)-1-[(3-fluorophenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 3-(2,5-difluorophenyl)-1-[(3-fluorophenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione (CID 22427932) is 3-(2,5-difluorophenyl)-1-[(3-fluorophenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-(2,5-difluorophenyl)-1-[(3-fluorophenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-(2,5-difluorophenyl)-1-[(3-fluorophenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione is O=c1c2sccc2n(Cc2cccc(F)c2)c(=O)n1-c1cc(F)ccc1F.
What is the InChIKey of 3-(2,5-difluorophenyl)-1-[(3-fluorophenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione?
The InChIKey is HAZFPOUCBNOUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F3N2O2S/c20-12-3-1-2-11(8-12)10-23-15-6-7-27-17(15)18(25)24(19(23)26)16-9-13(21)4-5-14(16)22/h1-9H,10H2.
What are the key properties of 3-(2,5-difluorophenyl)-1-[(3-fluorophenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione?
3-(2,5-difluorophenyl)-1-[(3-fluorophenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione has a molecular weight of 388.37 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-difluorophenyl)-1-[(3-fluorophenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 22427932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).