8-ethyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one

C10H11N3O3S — CID 10848478

IUPAC8-ethyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)ccc2cnc(S(C)(=O)=O)nc21
InChIInChI=1S/C10H11N3O3S/c1-3-13-8(14)5-4-7-6-11-10(12-9(7)13)17(2,15)16/h4-6H,3H2,1-2H3
InChIKeyBAXBOJGFJVRQAD-UHFFFAOYSA-N
MW253.28 g/mol
LogP0.21
Rot. Bonds2

About 8-ethyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one

8-ethyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 10848478) has the molecular formula C10H11N3O3S and a molecular weight of 253.28 g/mol. Its IUPAC name is 8-ethyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-ethyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one
PubChem CID10848478
Molecular FormulaC10H11N3O3S
Molecular Weight253.28 g/mol
Exact Mass253.05
IUPAC Name8-ethyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)ccc2cnc(S(C)(=O)=O)nc21
InChIInChI=1S/C10H11N3O3S/c1-3-13-8(14)5-4-7-6-11-10(12-9(7)13)17(2,15)16/h4-6H,3H2,1-2H3
InChIKeyBAXBOJGFJVRQAD-UHFFFAOYSA-N
XLogP0.21
TPSA81.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-ethyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one (CID 10848478) is 8-ethyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-ethyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-ethyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one is CCn1c(=O)ccc2cnc(S(C)(=O)=O)nc21.
What is the InChIKey of 8-ethyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is BAXBOJGFJVRQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3S/c1-3-13-8(14)5-4-7-6-11-10(12-9(7)13)17(2,15)16/h4-6H,3H2,1-2H3.
What are the key properties of 8-ethyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one?
8-ethyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 253.28 g/mol, XLogP of 0.21, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 10848478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).