2-anilino-8-ethyl-6-thiophen-3-ylpyrido[2,3-d]pyrimidin-7-one

C19H16N4OS — CID 5328648

IUPAC2-anilino-8-ethyl-6-thiophen-3-ylpyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)c(-c2ccsc2)cc2cnc(Nc3ccccc3)nc21
InChIInChI=1S/C19H16N4OS/c1-2-23-17-14(10-16(18(23)24)13-8-9-25-12-13)11-20-19(22-17)21-15-6-4-3-5-7-15/h3-12H,2H2,1H3,(H,20,21,22)
InChIKeyWPUHUROYCYWEDW-UHFFFAOYSA-N
MW348.43 g/mol
LogP4.28
Rot. Bonds4

About 2-anilino-8-ethyl-6-thiophen-3-ylpyrido[2,3-d]pyrimidin-7-one

2-anilino-8-ethyl-6-thiophen-3-ylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 5328648) has the molecular formula C19H16N4OS and a molecular weight of 348.43 g/mol. Its IUPAC name is 2-anilino-8-ethyl-6-thiophen-3-ylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-anilino-8-ethyl-6-thiophen-3-ylpyrido[2,3-d]pyrimidin-7-one
PubChem CID5328648
Molecular FormulaC19H16N4OS
Molecular Weight348.43 g/mol
Exact Mass348.10
IUPAC Name2-anilino-8-ethyl-6-thiophen-3-ylpyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)c(-c2ccsc2)cc2cnc(Nc3ccccc3)nc21
InChIInChI=1S/C19H16N4OS/c1-2-23-17-14(10-16(18(23)24)13-8-9-25-12-13)11-20-19(22-17)21-15-6-4-3-5-7-15/h3-12H,2H2,1H3,(H,20,21,22)
InChIKeyWPUHUROYCYWEDW-UHFFFAOYSA-N
XLogP4.28
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-8-ethyl-6-thiophen-3-ylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-anilino-8-ethyl-6-thiophen-3-ylpyrido[2,3-d]pyrimidin-7-one (CID 5328648) is 2-anilino-8-ethyl-6-thiophen-3-ylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-anilino-8-ethyl-6-thiophen-3-ylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-anilino-8-ethyl-6-thiophen-3-ylpyrido[2,3-d]pyrimidin-7-one is CCn1c(=O)c(-c2ccsc2)cc2cnc(Nc3ccccc3)nc21.
What is the InChIKey of 2-anilino-8-ethyl-6-thiophen-3-ylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is WPUHUROYCYWEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4OS/c1-2-23-17-14(10-16(18(23)24)13-8-9-25-12-13)11-20-19(22-17)21-15-6-4-3-5-7-15/h3-12H,2H2,1H3,(H,20,21,22).
What are the key properties of 2-anilino-8-ethyl-6-thiophen-3-ylpyrido[2,3-d]pyrimidin-7-one?
2-anilino-8-ethyl-6-thiophen-3-ylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 348.43 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-8-ethyl-6-thiophen-3-ylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 5328648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).