5-cyclobutylsulfanyl-3-methyl-1-(2-methylpropyl)-6-[[2-(trifluoromethyl)phenyl]methyl]thieno[2,3-d]pyrimidine-2,4-dione

C23H25F3N2O2S2 — CID 24825252

IUPAC5-cyclobutylsulfanyl-3-methyl-1-(2-methylpropyl)-6-[[2-(trifluoromethyl)phenyl]methyl]thieno[2,3-d]pyrimidine-2,4-dione
SMILESCC(C)Cn1c(=O)n(C)c(=O)c2c(SC3CCC3)c(Cc3ccccc3C(F)(F)F)sc21
InChIInChI=1S/C23H25F3N2O2S2/c1-13(2)12-28-21-18(20(29)27(3)22(28)30)19(31-15-8-6-9-15)17(32-21)11-14-7-4-5-10-16(14)23(24,25)26/h4-5,7,10,13,15H,6,8-9,11-12H2,1-3H3
InChIKeyGUAPZNRGDUSXHS-UHFFFAOYSA-N
MW482.59 g/mol
LogP5.67
Rot. Bonds6

About 5-cyclobutylsulfanyl-3-methyl-1-(2-methylpropyl)-6-[[2-(trifluoromethyl)phenyl]methyl]thieno[2,3-d]pyrimidine-2,4-dione

5-cyclobutylsulfanyl-3-methyl-1-(2-methylpropyl)-6-[[2-(trifluoromethyl)phenyl]methyl]thieno[2,3-d]pyrimidine-2,4-dione (PubChem CID 24825252) has the molecular formula C23H25F3N2O2S2 and a molecular weight of 482.59 g/mol. Its IUPAC name is 5-cyclobutylsulfanyl-3-methyl-1-(2-methylpropyl)-6-[[2-(trifluoromethyl)phenyl]methyl]thieno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-cyclobutylsulfanyl-3-methyl-1-(2-methylpropyl)-6-[[2-(trifluoromethyl)phenyl]methyl]thieno[2,3-d]pyrimidine-2,4-dione
PubChem CID24825252
Molecular FormulaC23H25F3N2O2S2
Molecular Weight482.59 g/mol
Exact Mass482.13
IUPAC Name5-cyclobutylsulfanyl-3-methyl-1-(2-methylpropyl)-6-[[2-(trifluoromethyl)phenyl]methyl]thieno[2,3-d]pyrimidine-2,4-dione
SMILESCC(C)Cn1c(=O)n(C)c(=O)c2c(SC3CCC3)c(Cc3ccccc3C(F)(F)F)sc21
InChIInChI=1S/C23H25F3N2O2S2/c1-13(2)12-28-21-18(20(29)27(3)22(28)30)19(31-15-8-6-9-15)17(32-21)11-14-7-4-5-10-16(14)23(24,25)26/h4-5,7,10,13,15H,6,8-9,11-12H2,1-3H3
InChIKeyGUAPZNRGDUSXHS-UHFFFAOYSA-N
XLogP5.67
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.59
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-cyclobutylsulfanyl-3-methyl-1-(2-methylpropyl)-6-[[2-(trifluoromethyl)phenyl]methyl]thieno[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 5-cyclobutylsulfanyl-3-methyl-1-(2-methylpropyl)-6-[[2-(trifluoromethyl)phenyl]methyl]thieno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 5-cyclobutylsulfanyl-3-methyl-1-(2-methylpropyl)-6-[[2-(trifluoromethyl)phenyl]methyl]thieno[2,3-d]pyrimidine-2,4-dione (CID 24825252) is 5-cyclobutylsulfanyl-3-methyl-1-(2-methylpropyl)-6-[[2-(trifluoromethyl)phenyl]methyl]thieno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 5-cyclobutylsulfanyl-3-methyl-1-(2-methylpropyl)-6-[[2-(trifluoromethyl)phenyl]methyl]thieno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 5-cyclobutylsulfanyl-3-methyl-1-(2-methylpropyl)-6-[[2-(trifluoromethyl)phenyl]methyl]thieno[2,3-d]pyrimidine-2,4-dione is CC(C)Cn1c(=O)n(C)c(=O)c2c(SC3CCC3)c(Cc3ccccc3C(F)(F)F)sc21.
What is the InChIKey of 5-cyclobutylsulfanyl-3-methyl-1-(2-methylpropyl)-6-[[2-(trifluoromethyl)phenyl]methyl]thieno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is GUAPZNRGDUSXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N2O2S2/c1-13(2)12-28-21-18(20(29)27(3)22(28)30)19(31-15-8-6-9-15)17(32-21)11-14-7-4-5-10-16(14)23(24,25)26/h4-5,7,10,13,15H,6,8-9,11-12H2,1-3H3.
What are the key properties of 5-cyclobutylsulfanyl-3-methyl-1-(2-methylpropyl)-6-[[2-(trifluoromethyl)phenyl]methyl]thieno[2,3-d]pyrimidine-2,4-dione?
5-cyclobutylsulfanyl-3-methyl-1-(2-methylpropyl)-6-[[2-(trifluoromethyl)phenyl]methyl]thieno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 482.59 g/mol, XLogP of 5.67, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutylsulfanyl-3-methyl-1-(2-methylpropyl)-6-[[2-(trifluoromethyl)phenyl]methyl]thieno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 24825252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).