4-ethyl-2-(ethylamino)-8-phenyl-6-thiophen-2-ylpyrido[2,3-d]pyrimidin-7-one

C21H20N4OS — CID 69122722

IUPAC4-ethyl-2-(ethylamino)-8-phenyl-6-thiophen-2-ylpyrido[2,3-d]pyrimidin-7-one
SMILESCCNc1nc(CC)c2cc(-c3cccs3)c(=O)n(-c3ccccc3)c2n1
InChIInChI=1S/C21H20N4OS/c1-3-17-15-13-16(18-11-8-12-27-18)20(26)25(14-9-6-5-7-10-14)19(15)24-21(23-17)22-4-2/h5-13H,3-4H2,1-2H3,(H,22,23,24)
InChIKeyJZCYNDJPERTECR-UHFFFAOYSA-N
MW376.49 g/mol
LogP4.50
Rot. Bonds5

About 4-ethyl-2-(ethylamino)-8-phenyl-6-thiophen-2-ylpyrido[2,3-d]pyrimidin-7-one

4-ethyl-2-(ethylamino)-8-phenyl-6-thiophen-2-ylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 69122722) has the molecular formula C21H20N4OS and a molecular weight of 376.49 g/mol. Its IUPAC name is 4-ethyl-2-(ethylamino)-8-phenyl-6-thiophen-2-ylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name4-ethyl-2-(ethylamino)-8-phenyl-6-thiophen-2-ylpyrido[2,3-d]pyrimidin-7-one
PubChem CID69122722
Molecular FormulaC21H20N4OS
Molecular Weight376.49 g/mol
Exact Mass376.14
IUPAC Name4-ethyl-2-(ethylamino)-8-phenyl-6-thiophen-2-ylpyrido[2,3-d]pyrimidin-7-one
SMILESCCNc1nc(CC)c2cc(-c3cccs3)c(=O)n(-c3ccccc3)c2n1
InChIInChI=1S/C21H20N4OS/c1-3-17-15-13-16(18-11-8-12-27-18)20(26)25(14-9-6-5-7-10-14)19(15)24-21(23-17)22-4-2/h5-13H,3-4H2,1-2H3,(H,22,23,24)
InChIKeyJZCYNDJPERTECR-UHFFFAOYSA-N
XLogP4.50
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.49
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-ethyl-2-(ethylamino)-8-phenyl-6-thiophen-2-ylpyrido[2,3-d]pyrimidin-7-one 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 4-ethyl-2-(ethylamino)-8-phenyl-6-thiophen-2-ylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 4-ethyl-2-(ethylamino)-8-phenyl-6-thiophen-2-ylpyrido[2,3-d]pyrimidin-7-one (CID 69122722) is 4-ethyl-2-(ethylamino)-8-phenyl-6-thiophen-2-ylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 4-ethyl-2-(ethylamino)-8-phenyl-6-thiophen-2-ylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 4-ethyl-2-(ethylamino)-8-phenyl-6-thiophen-2-ylpyrido[2,3-d]pyrimidin-7-one is CCNc1nc(CC)c2cc(-c3cccs3)c(=O)n(-c3ccccc3)c2n1.
What is the InChIKey of 4-ethyl-2-(ethylamino)-8-phenyl-6-thiophen-2-ylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is JZCYNDJPERTECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4OS/c1-3-17-15-13-16(18-11-8-12-27-18)20(26)25(14-9-6-5-7-10-14)19(15)24-21(23-17)22-4-2/h5-13H,3-4H2,1-2H3,(H,22,23,24).
What are the key properties of 4-ethyl-2-(ethylamino)-8-phenyl-6-thiophen-2-ylpyrido[2,3-d]pyrimidin-7-one?
4-ethyl-2-(ethylamino)-8-phenyl-6-thiophen-2-ylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 376.49 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(ethylamino)-8-phenyl-6-thiophen-2-ylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 69122722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).