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

C12H10N4OS — CID 5328643

IUPAC2-amino-8-methyl-6-thiophen-3-ylpyrido[2,3-d]pyrimidin-7-one
SMILESCn1c(=O)c(-c2ccsc2)cc2cnc(N)nc21
InChIInChI=1S/C12H10N4OS/c1-16-10-8(5-14-12(13)15-10)4-9(11(16)17)7-2-3-18-6-7/h2-6H,1H3,(H2,13,14,15)
InChIKeyRDZPPJCRWXTEBQ-UHFFFAOYSA-N
MW258.31 g/mol
LogP1.64
Rot. Bonds1

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

2-amino-8-methyl-6-thiophen-3-ylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 5328643) has the molecular formula C12H10N4OS and a molecular weight of 258.31 g/mol. Its IUPAC name is 2-amino-8-methyl-6-thiophen-3-ylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-amino-8-methyl-6-thiophen-3-ylpyrido[2,3-d]pyrimidin-7-one
PubChem CID5328643
Molecular FormulaC12H10N4OS
Molecular Weight258.31 g/mol
Exact Mass258.06
IUPAC Name2-amino-8-methyl-6-thiophen-3-ylpyrido[2,3-d]pyrimidin-7-one
SMILESCn1c(=O)c(-c2ccsc2)cc2cnc(N)nc21
InChIInChI=1S/C12H10N4OS/c1-16-10-8(5-14-12(13)15-10)4-9(11(16)17)7-2-3-18-6-7/h2-6H,1H3,(H2,13,14,15)
InChIKeyRDZPPJCRWXTEBQ-UHFFFAOYSA-N
XLogP1.64
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-8-methyl-6-thiophen-3-ylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-amino-8-methyl-6-thiophen-3-ylpyrido[2,3-d]pyrimidin-7-one (CID 5328643) is 2-amino-8-methyl-6-thiophen-3-ylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-amino-8-methyl-6-thiophen-3-ylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-amino-8-methyl-6-thiophen-3-ylpyrido[2,3-d]pyrimidin-7-one is Cn1c(=O)c(-c2ccsc2)cc2cnc(N)nc21.
What is the InChIKey of 2-amino-8-methyl-6-thiophen-3-ylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is RDZPPJCRWXTEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4OS/c1-16-10-8(5-14-12(13)15-10)4-9(11(16)17)7-2-3-18-6-7/h2-6H,1H3,(H2,13,14,15).
What are the key properties of 2-amino-8-methyl-6-thiophen-3-ylpyrido[2,3-d]pyrimidin-7-one?
2-amino-8-methyl-6-thiophen-3-ylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 258.31 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-methyl-6-thiophen-3-ylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 5328643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).