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

C9H9N3O3S — CID 18374925

IUPAC8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one
SMILESCn1c(=O)ccc2cnc(S(C)(=O)=O)nc21
InChIInChI=1S/C9H9N3O3S/c1-12-7(13)4-3-6-5-10-9(11-8(6)12)16(2,14)15/h3-5H,1-2H3
InChIKeyDLXHWWINPDPYPP-UHFFFAOYSA-N
MW239.26 g/mol
LogP-0.27
Rot. Bonds1

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

8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 18374925) has the molecular formula C9H9N3O3S and a molecular weight of 239.26 g/mol. Its IUPAC name is 8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one
PubChem CID18374925
Molecular FormulaC9H9N3O3S
Molecular Weight239.26 g/mol
Exact Mass239.04
IUPAC Name8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one
SMILESCn1c(=O)ccc2cnc(S(C)(=O)=O)nc21
InChIInChI=1S/C9H9N3O3S/c1-12-7(13)4-3-6-5-10-9(11-8(6)12)16(2,14)15/h3-5H,1-2H3
InChIKeyDLXHWWINPDPYPP-UHFFFAOYSA-N
XLogP-0.27
TPSA81.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 5-0.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 11312463
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CID 11483682
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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one (CID 18374925) is 8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one is Cn1c(=O)ccc2cnc(S(C)(=O)=O)nc21.
What is the InChIKey of 8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is DLXHWWINPDPYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O3S/c1-12-7(13)4-3-6-5-10-9(11-8(6)12)16(2,14)15/h3-5H,1-2H3.
What are the key properties of 8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one?
8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 239.26 g/mol, XLogP of -0.27, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 18374925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).