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

C19H11F3N2O2S — CID 53331598

IUPAC1-[(2,5-difluorophenyl)methyl]-3-(2-fluorophenyl)thieno[3,2-d]pyrimidine-2,4-dione
SMILESO=c1c2sccc2n(Cc2cc(F)ccc2F)c(=O)n1-c1ccccc1F
InChIInChI=1S/C19H11F3N2O2S/c20-12-5-6-13(21)11(9-12)10-23-16-7-8-27-17(16)18(25)24(19(23)26)15-4-2-1-3-14(15)22/h1-9H,10H2
InChIKeyIZLJEGMHYCKICO-UHFFFAOYSA-N
MW388.37 g/mol
LogP3.68
Rot. Bonds3

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

1-[(2,5-difluorophenyl)methyl]-3-(2-fluorophenyl)thieno[3,2-d]pyrimidine-2,4-dione (PubChem CID 53331598) has the molecular formula C19H11F3N2O2S and a molecular weight of 388.37 g/mol. Its IUPAC name is 1-[(2,5-difluorophenyl)methyl]-3-(2-fluorophenyl)thieno[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2,5-difluorophenyl)methyl]-3-(2-fluorophenyl)thieno[3,2-d]pyrimidine-2,4-dione
PubChem CID53331598
Molecular FormulaC19H11F3N2O2S
Molecular Weight388.37 g/mol
Exact Mass388.05
IUPAC Name1-[(2,5-difluorophenyl)methyl]-3-(2-fluorophenyl)thieno[3,2-d]pyrimidine-2,4-dione
SMILESO=c1c2sccc2n(Cc2cc(F)ccc2F)c(=O)n1-c1ccccc1F
InChIInChI=1S/C19H11F3N2O2S/c20-12-5-6-13(21)11(9-12)10-23-16-7-8-27-17(16)18(25)24(19(23)26)15-4-2-1-3-14(15)22/h1-9H,10H2
InChIKeyIZLJEGMHYCKICO-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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-difluorophenyl)methyl]-3-(2-fluorophenyl)thieno[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 1-[(2,5-difluorophenyl)methyl]-3-(2-fluorophenyl)thieno[3,2-d]pyrimidine-2,4-dione (CID 53331598) is 1-[(2,5-difluorophenyl)methyl]-3-(2-fluorophenyl)thieno[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2,5-difluorophenyl)methyl]-3-(2-fluorophenyl)thieno[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(2,5-difluorophenyl)methyl]-3-(2-fluorophenyl)thieno[3,2-d]pyrimidine-2,4-dione is O=c1c2sccc2n(Cc2cc(F)ccc2F)c(=O)n1-c1ccccc1F.
What is the InChIKey of 1-[(2,5-difluorophenyl)methyl]-3-(2-fluorophenyl)thieno[3,2-d]pyrimidine-2,4-dione?
The InChIKey is IZLJEGMHYCKICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F3N2O2S/c20-12-5-6-13(21)11(9-12)10-23-16-7-8-27-17(16)18(25)24(19(23)26)15-4-2-1-3-14(15)22/h1-9H,10H2.
What are the key properties of 1-[(2,5-difluorophenyl)methyl]-3-(2-fluorophenyl)thieno[3,2-d]pyrimidine-2,4-dione?
1-[(2,5-difluorophenyl)methyl]-3-(2-fluorophenyl)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 1-[(2,5-difluorophenyl)methyl]-3-(2-fluorophenyl)thieno[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 53331598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).