4,8-dimethyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one

C10H11N3O3S — CID 21073276

IUPAC4,8-dimethyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(S(C)(=O)=O)nc2c1ccc(=O)n2C
InChIInChI=1S/C10H11N3O3S/c1-6-7-4-5-8(14)13(2)9(7)12-10(11-6)17(3,15)16/h4-5H,1-3H3
InChIKeyIRVZEDLWKOLXDV-UHFFFAOYSA-N
MW253.28 g/mol
LogP0.04
Rot. Bonds1

About 4,8-dimethyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one

4,8-dimethyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 21073276) has the molecular formula C10H11N3O3S and a molecular weight of 253.28 g/mol. Its IUPAC name is 4,8-dimethyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name4,8-dimethyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one
PubChem CID21073276
Molecular FormulaC10H11N3O3S
Molecular Weight253.28 g/mol
Exact Mass253.05
IUPAC Name4,8-dimethyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(S(C)(=O)=O)nc2c1ccc(=O)n2C
InChIInChI=1S/C10H11N3O3S/c1-6-7-4-5-8(14)13(2)9(7)12-10(11-6)17(3,15)16/h4-5H,1-3H3
InChIKeyIRVZEDLWKOLXDV-UHFFFAOYSA-N
XLogP0.04
TPSA81.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,8-dimethyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 4,8-dimethyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one (CID 21073276) is 4,8-dimethyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 4,8-dimethyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 4,8-dimethyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one is Cc1nc(S(C)(=O)=O)nc2c1ccc(=O)n2C.
What is the InChIKey of 4,8-dimethyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is IRVZEDLWKOLXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3S/c1-6-7-4-5-8(14)13(2)9(7)12-10(11-6)17(3,15)16/h4-5H,1-3H3.
What are the key properties of 4,8-dimethyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one?
4,8-dimethyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 253.28 g/mol, XLogP of 0.04, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dimethyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 21073276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).