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

C18H14N4OS — CID 5328638

IUPAC2-anilino-8-methyl-6-thiophen-3-ylpyrido[2,3-d]pyrimidin-7-one
SMILESCn1c(=O)c(-c2ccsc2)cc2cnc(Nc3ccccc3)nc21
InChIInChI=1S/C18H14N4OS/c1-22-16-13(9-15(17(22)23)12-7-8-24-11-12)10-19-18(21-16)20-14-5-3-2-4-6-14/h2-11H,1H3,(H,19,20,21)
InChIKeyXMOUFRISTWXUBM-UHFFFAOYSA-N
MW334.40 g/mol
LogP3.80
Rot. Bonds3

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

2-anilino-8-methyl-6-thiophen-3-ylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 5328638) has the molecular formula C18H14N4OS and a molecular weight of 334.40 g/mol. Its IUPAC name is 2-anilino-8-methyl-6-thiophen-3-ylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-anilino-8-methyl-6-thiophen-3-ylpyrido[2,3-d]pyrimidin-7-one
PubChem CID5328638
Molecular FormulaC18H14N4OS
Molecular Weight334.40 g/mol
Exact Mass334.09
IUPAC Name2-anilino-8-methyl-6-thiophen-3-ylpyrido[2,3-d]pyrimidin-7-one
SMILESCn1c(=O)c(-c2ccsc2)cc2cnc(Nc3ccccc3)nc21
InChIInChI=1S/C18H14N4OS/c1-22-16-13(9-15(17(22)23)12-7-8-24-11-12)10-19-18(21-16)20-14-5-3-2-4-6-14/h2-11H,1H3,(H,19,20,21)
InChIKeyXMOUFRISTWXUBM-UHFFFAOYSA-N
XLogP3.80
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-8-methyl-6-thiophen-3-ylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-anilino-8-methyl-6-thiophen-3-ylpyrido[2,3-d]pyrimidin-7-one (CID 5328638) is 2-anilino-8-methyl-6-thiophen-3-ylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-anilino-8-methyl-6-thiophen-3-ylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-anilino-8-methyl-6-thiophen-3-ylpyrido[2,3-d]pyrimidin-7-one is Cn1c(=O)c(-c2ccsc2)cc2cnc(Nc3ccccc3)nc21.
What is the InChIKey of 2-anilino-8-methyl-6-thiophen-3-ylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is XMOUFRISTWXUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4OS/c1-22-16-13(9-15(17(22)23)12-7-8-24-11-12)10-19-18(21-16)20-14-5-3-2-4-6-14/h2-11H,1H3,(H,19,20,21).
What are the key properties of 2-anilino-8-methyl-6-thiophen-3-ylpyrido[2,3-d]pyrimidin-7-one?
2-anilino-8-methyl-6-thiophen-3-ylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 334.40 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-8-methyl-6-thiophen-3-ylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 5328638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).