3-(4-ethoxyphenyl)-5,6-dimethyl-1-[(3-methylphenyl)methyl]thieno[2,3-d]pyrimidine-2,4-dione

C24H24N2O3S — CID 22428388

IUPAC3-(4-ethoxyphenyl)-5,6-dimethyl-1-[(3-methylphenyl)methyl]thieno[2,3-d]pyrimidine-2,4-dione
SMILESCCOc1ccc(-n2c(=O)c3c(C)c(C)sc3n(Cc3cccc(C)c3)c2=O)cc1
InChIInChI=1S/C24H24N2O3S/c1-5-29-20-11-9-19(10-12-20)26-22(27)21-16(3)17(4)30-23(21)25(24(26)28)14-18-8-6-7-15(2)13-18/h6-13H,5,14H2,1-4H3
InChIKeyBXHRGONXSHMHLY-UHFFFAOYSA-N
MW420.53 g/mol
LogP4.59
Rot. Bonds5

About 3-(4-ethoxyphenyl)-5,6-dimethyl-1-[(3-methylphenyl)methyl]thieno[2,3-d]pyrimidine-2,4-dione

3-(4-ethoxyphenyl)-5,6-dimethyl-1-[(3-methylphenyl)methyl]thieno[2,3-d]pyrimidine-2,4-dione (PubChem CID 22428388) has the molecular formula C24H24N2O3S and a molecular weight of 420.53 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-5,6-dimethyl-1-[(3-methylphenyl)methyl]thieno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-5,6-dimethyl-1-[(3-methylphenyl)methyl]thieno[2,3-d]pyrimidine-2,4-dione
PubChem CID22428388
Molecular FormulaC24H24N2O3S
Molecular Weight420.53 g/mol
Exact Mass420.15
IUPAC Name3-(4-ethoxyphenyl)-5,6-dimethyl-1-[(3-methylphenyl)methyl]thieno[2,3-d]pyrimidine-2,4-dione
SMILESCCOc1ccc(-n2c(=O)c3c(C)c(C)sc3n(Cc3cccc(C)c3)c2=O)cc1
InChIInChI=1S/C24H24N2O3S/c1-5-29-20-11-9-19(10-12-20)26-22(27)21-16(3)17(4)30-23(21)25(24(26)28)14-18-8-6-7-15(2)13-18/h6-13H,5,14H2,1-4H3
InChIKeyBXHRGONXSHMHLY-UHFFFAOYSA-N
XLogP4.59
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-5,6-dimethyl-1-[(3-methylphenyl)methyl]thieno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 3-(4-ethoxyphenyl)-5,6-dimethyl-1-[(3-methylphenyl)methyl]thieno[2,3-d]pyrimidine-2,4-dione (CID 22428388) is 3-(4-ethoxyphenyl)-5,6-dimethyl-1-[(3-methylphenyl)methyl]thieno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-(4-ethoxyphenyl)-5,6-dimethyl-1-[(3-methylphenyl)methyl]thieno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-(4-ethoxyphenyl)-5,6-dimethyl-1-[(3-methylphenyl)methyl]thieno[2,3-d]pyrimidine-2,4-dione is CCOc1ccc(-n2c(=O)c3c(C)c(C)sc3n(Cc3cccc(C)c3)c2=O)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-5,6-dimethyl-1-[(3-methylphenyl)methyl]thieno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is BXHRGONXSHMHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3S/c1-5-29-20-11-9-19(10-12-20)26-22(27)21-16(3)17(4)30-23(21)25(24(26)28)14-18-8-6-7-15(2)13-18/h6-13H,5,14H2,1-4H3.
What are the key properties of 3-(4-ethoxyphenyl)-5,6-dimethyl-1-[(3-methylphenyl)methyl]thieno[2,3-d]pyrimidine-2,4-dione?
3-(4-ethoxyphenyl)-5,6-dimethyl-1-[(3-methylphenyl)methyl]thieno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 420.53 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-5,6-dimethyl-1-[(3-methylphenyl)methyl]thieno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 22428388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).