4-methyl-2-methylsulfonyl-8H-pyrido[2,3-d]pyrimidin-7-one

C9H9N3O3S — CID 21073277

IUPAC4-methyl-2-methylsulfonyl-8H-pyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(S(C)(=O)=O)nc2[nH]c(=O)ccc12
InChIInChI=1S/C9H9N3O3S/c1-5-6-3-4-7(13)11-8(6)12-9(10-5)16(2,14)15/h3-4H,1-2H3,(H,10,11,12,13)
InChIKeyLECNVRFYMRFRDE-UHFFFAOYSA-N
MW239.26 g/mol
LogP0.03
Rot. Bonds1

About 4-methyl-2-methylsulfonyl-8H-pyrido[2,3-d]pyrimidin-7-one

4-methyl-2-methylsulfonyl-8H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 21073277) has the molecular formula C9H9N3O3S and a molecular weight of 239.26 g/mol. Its IUPAC name is 4-methyl-2-methylsulfonyl-8H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name4-methyl-2-methylsulfonyl-8H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID21073277
Molecular FormulaC9H9N3O3S
Molecular Weight239.26 g/mol
Exact Mass239.04
IUPAC Name4-methyl-2-methylsulfonyl-8H-pyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(S(C)(=O)=O)nc2[nH]c(=O)ccc12
InChIInChI=1S/C9H9N3O3S/c1-5-6-3-4-7(13)11-8(6)12-9(10-5)16(2,14)15/h3-4H,1-2H3,(H,10,11,12,13)
InChIKeyLECNVRFYMRFRDE-UHFFFAOYSA-N
XLogP0.03
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-methylsulfonyl-8H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 4-methyl-2-methylsulfonyl-8H-pyrido[2,3-d]pyrimidin-7-one (CID 21073277) is 4-methyl-2-methylsulfonyl-8H-pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 4-methyl-2-methylsulfonyl-8H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 4-methyl-2-methylsulfonyl-8H-pyrido[2,3-d]pyrimidin-7-one is Cc1nc(S(C)(=O)=O)nc2[nH]c(=O)ccc12.
What is the InChIKey of 4-methyl-2-methylsulfonyl-8H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is LECNVRFYMRFRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O3S/c1-5-6-3-4-7(13)11-8(6)12-9(10-5)16(2,14)15/h3-4H,1-2H3,(H,10,11,12,13).
What are the key properties of 4-methyl-2-methylsulfonyl-8H-pyrido[2,3-d]pyrimidin-7-one?
4-methyl-2-methylsulfonyl-8H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 239.26 g/mol, XLogP of 0.03, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-methylsulfonyl-8H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 21073277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).