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

C14H17N3O3S — CID 146673939

IUPAC8-cyclohexyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one
SMILESCS(=O)(=O)c1ncc2ccc(=O)n(C3CCCCC3)c2n1
InChIInChI=1S/C14H17N3O3S/c1-21(19,20)14-15-9-10-7-8-12(18)17(13(10)16-14)11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3
InChIKeyDLCYBGIJRWKWHB-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.70
Rot. Bonds2

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

8-cyclohexyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 146673939) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 8-cyclohexyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-cyclohexyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one
PubChem CID146673939
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name8-cyclohexyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one
SMILESCS(=O)(=O)c1ncc2ccc(=O)n(C3CCCCC3)c2n1
InChIInChI=1S/C14H17N3O3S/c1-21(19,20)14-15-9-10-7-8-12(18)17(13(10)16-14)11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3
InChIKeyDLCYBGIJRWKWHB-UHFFFAOYSA-N
XLogP1.70
TPSA81.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

8-[(1R)-2-methylidenecyclopentyl]-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one
CID 169257579
8-cyclohexyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one
CID 10661257
8-cyclopentyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one
CID 10826395
8-cyclohexyl-2-(cyclohexylamino)pyrido[2,3-d]pyrimidin-7-one
CID 18375181
4-[(8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-sulfonyl chloride
CID 164557559
8-cyclohexyl-2-(3-piperidin-1-ylpropylamino)pyrido[2,3-d]pyrimidin-7-one
CID 18375238
2-methyl-8-(oxan-4-yl)pyrido[2,3-d]pyrimidin-7-one
CID 175812147
8-cyclopentyl-2-[[1-(3-hydroxyazetidin-1-yl)sulfonylpiperidin-4-yl]amino]pyrido[2,3-d]pyrimidin-7-one
CID 166904007
8-cyclopentyl-2-[[1-(oxetan-3-ylsulfonyl)piperidin-4-yl]amino]pyrido[2,3-d]pyrimidin-7-one
CID 166903959
8-cyclopentyl-2-(2-methyl-4-sulfanylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 166117995
8-cyclopentyl-2-[[1-(2-methoxyethylsulfonyl)piperidin-4-yl]amino]pyrido[2,3-d]pyrimidin-7-one
CID 134253050
3-[2-(2-methylsulfonyl-7-oxopyrido[2,3-d]pyrimidin-8-yl)ethyl]azetidine-1-carboxylic acid
CID 175410871

Frequently Asked Questions

What is the IUPAC name of 8-cyclohexyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-cyclohexyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one (CID 146673939) is 8-cyclohexyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-cyclohexyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-cyclohexyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one is CS(=O)(=O)c1ncc2ccc(=O)n(C3CCCCC3)c2n1.
What is the InChIKey of 8-cyclohexyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is DLCYBGIJRWKWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-21(19,20)14-15-9-10-7-8-12(18)17(13(10)16-14)11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3.
What are the key properties of 8-cyclohexyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one?
8-cyclohexyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 307.38 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclohexyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 146673939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).