3-(2,4-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidine-2,4-dione

C23H21FN2O4S — CID 15989021

IUPAC3-(2,4-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccc(-n2c(=O)c3c(C)c(C)sc3n(Cc3ccc(F)cc3)c2=O)c(OC)c1
InChIInChI=1S/C23H21FN2O4S/c1-13-14(2)31-22-20(13)21(27)26(18-10-9-17(29-3)11-19(18)30-4)23(28)25(22)12-15-5-7-16(24)8-6-15/h5-11H,12H2,1-4H3
InChIKeyXGLZZKWMKKTVOY-UHFFFAOYSA-N
MW440.50 g/mol
LogP4.04
Rot. Bonds5

About 3-(2,4-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidine-2,4-dione

3-(2,4-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidine-2,4-dione (PubChem CID 15989021) has the molecular formula C23H21FN2O4S and a molecular weight of 440.50 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(2,4-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidine-2,4-dione
PubChem CID15989021
Molecular FormulaC23H21FN2O4S
Molecular Weight440.50 g/mol
Exact Mass440.12
IUPAC Name3-(2,4-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccc(-n2c(=O)c3c(C)c(C)sc3n(Cc3ccc(F)cc3)c2=O)c(OC)c1
InChIInChI=1S/C23H21FN2O4S/c1-13-14(2)31-22-20(13)21(27)26(18-10-9-17(29-3)11-19(18)30-4)23(28)25(22)12-15-5-7-16(24)8-6-15/h5-11H,12H2,1-4H3
InChIKeyXGLZZKWMKKTVOY-UHFFFAOYSA-N
XLogP4.04
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-(2,4-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]-5,6-dimethylthieno[2,3-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-(2,4-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 3-(2,4-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidine-2,4-dione (CID 15989021) is 3-(2,4-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-(2,4-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-(2,4-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidine-2,4-dione is COc1ccc(-n2c(=O)c3c(C)c(C)sc3n(Cc3ccc(F)cc3)c2=O)c(OC)c1.
What is the InChIKey of 3-(2,4-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is XGLZZKWMKKTVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O4S/c1-13-14(2)31-22-20(13)21(27)26(18-10-9-17(29-3)11-19(18)30-4)23(28)25(22)12-15-5-7-16(24)8-6-15/h5-11H,12H2,1-4H3.
What are the key properties of 3-(2,4-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidine-2,4-dione?
3-(2,4-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 440.50 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 15989021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).