5,6-diphenyl-7-thiophen-2-ylpyrido[2,3-d]pyrimidin-4-amine

C23H16N4S — CID 11234357

IUPAC5,6-diphenyl-7-thiophen-2-ylpyrido[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2nc(-c3cccs3)c(-c3ccccc3)c(-c3ccccc3)c12
InChIInChI=1S/C23H16N4S/c24-22-20-18(15-8-3-1-4-9-15)19(16-10-5-2-6-11-16)21(17-12-7-13-28-17)27-23(20)26-14-25-22/h1-14H,(H2,24,25,26,27)
InChIKeyLLOYWJOZQUIAAS-UHFFFAOYSA-N
MW380.48 g/mol
LogP5.67
Rot. Bonds3

About 5,6-diphenyl-7-thiophen-2-ylpyrido[2,3-d]pyrimidin-4-amine

5,6-diphenyl-7-thiophen-2-ylpyrido[2,3-d]pyrimidin-4-amine (PubChem CID 11234357) has the molecular formula C23H16N4S and a molecular weight of 380.48 g/mol. Its IUPAC name is 5,6-diphenyl-7-thiophen-2-ylpyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5,6-diphenyl-7-thiophen-2-ylpyrido[2,3-d]pyrimidin-4-amine
PubChem CID11234357
Molecular FormulaC23H16N4S
Molecular Weight380.48 g/mol
Exact Mass380.11
IUPAC Name5,6-diphenyl-7-thiophen-2-ylpyrido[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2nc(-c3cccs3)c(-c3ccccc3)c(-c3ccccc3)c12
InChIInChI=1S/C23H16N4S/c24-22-20-18(15-8-3-1-4-9-15)19(16-10-5-2-6-11-16)21(17-12-7-13-28-17)27-23(20)26-14-25-22/h1-14H,(H2,24,25,26,27)
InChIKeyLLOYWJOZQUIAAS-UHFFFAOYSA-N
XLogP5.67
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.48
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-diphenyl-7-thiophen-2-ylpyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5,6-diphenyl-7-thiophen-2-ylpyrido[2,3-d]pyrimidin-4-amine (CID 11234357) is 5,6-diphenyl-7-thiophen-2-ylpyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5,6-diphenyl-7-thiophen-2-ylpyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5,6-diphenyl-7-thiophen-2-ylpyrido[2,3-d]pyrimidin-4-amine is Nc1ncnc2nc(-c3cccs3)c(-c3ccccc3)c(-c3ccccc3)c12.
What is the InChIKey of 5,6-diphenyl-7-thiophen-2-ylpyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is LLOYWJOZQUIAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4S/c24-22-20-18(15-8-3-1-4-9-15)19(16-10-5-2-6-11-16)21(17-12-7-13-28-17)27-23(20)26-14-25-22/h1-14H,(H2,24,25,26,27).
What are the key properties of 5,6-diphenyl-7-thiophen-2-ylpyrido[2,3-d]pyrimidin-4-amine?
5,6-diphenyl-7-thiophen-2-ylpyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 380.48 g/mol, XLogP of 5.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diphenyl-7-thiophen-2-ylpyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 11234357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).