5-(2-ethoxyphenyl)-7-(4-methoxyphenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione

C24H23N3O4 — CID 2354555

IUPAC5-(2-ethoxyphenyl)-7-(4-methoxyphenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCOc1ccccc1-c1cc(-c2ccc(OC)cc2)nc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C24H23N3O4/c1-5-31-20-9-7-6-8-17(20)18-14-19(15-10-12-16(30-4)13-11-15)25-22-21(18)23(28)27(3)24(29)26(22)2/h6-14H,5H2,1-4H3
InChIKeyLLKMXLYZACOMIE-UHFFFAOYSA-N
MW417.47 g/mol
LogP3.37
Rot. Bonds5

About 5-(2-ethoxyphenyl)-7-(4-methoxyphenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione

5-(2-ethoxyphenyl)-7-(4-methoxyphenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 2354555) has the molecular formula C24H23N3O4 and a molecular weight of 417.47 g/mol. Its IUPAC name is 5-(2-ethoxyphenyl)-7-(4-methoxyphenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(2-ethoxyphenyl)-7-(4-methoxyphenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID2354555
Molecular FormulaC24H23N3O4
Molecular Weight417.47 g/mol
Exact Mass417.17
IUPAC Name5-(2-ethoxyphenyl)-7-(4-methoxyphenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCOc1ccccc1-c1cc(-c2ccc(OC)cc2)nc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C24H23N3O4/c1-5-31-20-9-7-6-8-17(20)18-14-19(15-10-12-16(30-4)13-11-15)25-22-21(18)23(28)27(3)24(29)26(22)2/h6-14H,5H2,1-4H3
InChIKeyLLKMXLYZACOMIE-UHFFFAOYSA-N
XLogP3.37
TPSA75.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-(2-ethoxyphenyl)-7-(4-methoxyphenyl)-1,3-dimethylpyrido[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-(2-ethoxyphenyl)-7-(4-methoxyphenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 5-(2-ethoxyphenyl)-7-(4-methoxyphenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione (CID 2354555) is 5-(2-ethoxyphenyl)-7-(4-methoxyphenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 5-(2-ethoxyphenyl)-7-(4-methoxyphenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 5-(2-ethoxyphenyl)-7-(4-methoxyphenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione is CCOc1ccccc1-c1cc(-c2ccc(OC)cc2)nc2c1c(=O)n(C)c(=O)n2C.
What is the InChIKey of 5-(2-ethoxyphenyl)-7-(4-methoxyphenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is LLKMXLYZACOMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4/c1-5-31-20-9-7-6-8-17(20)18-14-19(15-10-12-16(30-4)13-11-15)25-22-21(18)23(28)27(3)24(29)26(22)2/h6-14H,5H2,1-4H3.
What are the key properties of 5-(2-ethoxyphenyl)-7-(4-methoxyphenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
5-(2-ethoxyphenyl)-7-(4-methoxyphenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 417.47 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethoxyphenyl)-7-(4-methoxyphenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 2354555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).