3-(4-fluorophenyl)-1-[(2,4,6-trimethylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione

C22H19FN2O2S — CID 22428059

IUPAC3-(4-fluorophenyl)-1-[(2,4,6-trimethylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione
SMILESCc1cc(C)c(Cn2c(=O)n(-c3ccc(F)cc3)c(=O)c3sccc32)c(C)c1
InChIInChI=1S/C22H19FN2O2S/c1-13-10-14(2)18(15(3)11-13)12-24-19-8-9-28-20(19)21(26)25(22(24)27)17-6-4-16(23)5-7-17/h4-11H,12H2,1-3H3
InChIKeyONMLXCKEJGXEFV-UHFFFAOYSA-N
MW394.47 g/mol
LogP4.33
Rot. Bonds3

About 3-(4-fluorophenyl)-1-[(2,4,6-trimethylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione

3-(4-fluorophenyl)-1-[(2,4,6-trimethylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione (PubChem CID 22428059) has the molecular formula C22H19FN2O2S and a molecular weight of 394.47 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-[(2,4,6-trimethylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-[(2,4,6-trimethylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione
PubChem CID22428059
Molecular FormulaC22H19FN2O2S
Molecular Weight394.47 g/mol
Exact Mass394.12
IUPAC Name3-(4-fluorophenyl)-1-[(2,4,6-trimethylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione
SMILESCc1cc(C)c(Cn2c(=O)n(-c3ccc(F)cc3)c(=O)c3sccc32)c(C)c1
InChIInChI=1S/C22H19FN2O2S/c1-13-10-14(2)18(15(3)11-13)12-24-19-8-9-28-20(19)21(26)25(22(24)27)17-6-4-16(23)5-7-17/h4-11H,12H2,1-3H3
InChIKeyONMLXCKEJGXEFV-UHFFFAOYSA-N
XLogP4.33
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione
CID 22428041
3-(3-fluorophenyl)-1-[(2-methylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione
CID 53331601
3-(furan-2-ylmethyl)-1-[(2,4,6-trimethylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione
CID 53366612
1-[(2-chloro-4-fluorophenyl)methyl]-3-(4-ethoxyphenyl)thieno[3,2-d]pyrimidine-2,4-dione
CID 22427957
1-benzyl-3-(3-methylphenyl)thieno[3,2-d]pyrimidine-2,4-dione
CID 53331547
3-(4-methylphenyl)-1-[(4-nitrophenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione
CID 46246393
2-[2,4-dioxo-1-[(2,4,6-trimethylphenyl)methyl]thieno[3,2-d]pyrimidin-3-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 18592412
1-[(4-chlorophenyl)methyl]-3-(3-fluorophenyl)thieno[3,2-d]pyrimidine-2,4-dione
CID 53331619
2-[3-[(4-fluorophenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 46922605
3-(3-fluorophenyl)-1-[(2-fluorophenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione
CID 53331613
3-(4-methylphenyl)-1-[(3-nitrophenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione
CID 46246392
2-[[3-(4-methylphenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]methyl]benzonitrile
CID 46246394

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-[(2,4,6-trimethylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 3-(4-fluorophenyl)-1-[(2,4,6-trimethylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione (CID 22428059) is 3-(4-fluorophenyl)-1-[(2,4,6-trimethylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-(4-fluorophenyl)-1-[(2,4,6-trimethylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-(4-fluorophenyl)-1-[(2,4,6-trimethylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione is Cc1cc(C)c(Cn2c(=O)n(-c3ccc(F)cc3)c(=O)c3sccc32)c(C)c1.
What is the InChIKey of 3-(4-fluorophenyl)-1-[(2,4,6-trimethylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione?
The InChIKey is ONMLXCKEJGXEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O2S/c1-13-10-14(2)18(15(3)11-13)12-24-19-8-9-28-20(19)21(26)25(22(24)27)17-6-4-16(23)5-7-17/h4-11H,12H2,1-3H3.
What are the key properties of 3-(4-fluorophenyl)-1-[(2,4,6-trimethylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione?
3-(4-fluorophenyl)-1-[(2,4,6-trimethylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione has a molecular weight of 394.47 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-[(2,4,6-trimethylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 22428059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).