2-(N,S-dimethylsulfonimidoyl)-4-methyl-1H-pyrimidin-6-one

C7H11N3O2S — CID 137174767

IUPAC2-(N,S-dimethylsulfonimidoyl)-4-methyl-1H-pyrimidin-6-one
SMILESCN=S(C)(=O)c1nc(C)cc(=O)[nH]1
InChIInChI=1S/C7H11N3O2S/c1-5-4-6(11)10-7(9-5)13(3,12)8-2/h4H,1-3H3,(H,9,10,11)
InChIKeyWSHBRNKLSDQBGQ-UHFFFAOYSA-N
MW201.25 g/mol
LogP0.16
Rot. Bonds1

About 2-(N,S-dimethylsulfonimidoyl)-4-methyl-1H-pyrimidin-6-one

2-(N,S-dimethylsulfonimidoyl)-4-methyl-1H-pyrimidin-6-one (PubChem CID 137174767) has the molecular formula C7H11N3O2S and a molecular weight of 201.25 g/mol. Its IUPAC name is 2-(N,S-dimethylsulfonimidoyl)-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(N,S-dimethylsulfonimidoyl)-4-methyl-1H-pyrimidin-6-one
PubChem CID137174767
Molecular FormulaC7H11N3O2S
Molecular Weight201.25 g/mol
Exact Mass201.06
IUPAC Name2-(N,S-dimethylsulfonimidoyl)-4-methyl-1H-pyrimidin-6-one
SMILESCN=S(C)(=O)c1nc(C)cc(=O)[nH]1
InChIInChI=1S/C7H11N3O2S/c1-5-4-6(11)10-7(9-5)13(3,12)8-2/h4H,1-3H3,(H,9,10,11)
InChIKeyWSHBRNKLSDQBGQ-UHFFFAOYSA-N
XLogP0.16
TPSA75.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(N,S-dimethylsulfonimidoyl)-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(N,S-dimethylsulfonimidoyl)-4-methyl-1H-pyrimidin-6-one (CID 137174767) is 2-(N,S-dimethylsulfonimidoyl)-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(N,S-dimethylsulfonimidoyl)-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(N,S-dimethylsulfonimidoyl)-4-methyl-1H-pyrimidin-6-one is CN=S(C)(=O)c1nc(C)cc(=O)[nH]1.
What is the InChIKey of 2-(N,S-dimethylsulfonimidoyl)-4-methyl-1H-pyrimidin-6-one?
The InChIKey is WSHBRNKLSDQBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2S/c1-5-4-6(11)10-7(9-5)13(3,12)8-2/h4H,1-3H3,(H,9,10,11).
What are the key properties of 2-(N,S-dimethylsulfonimidoyl)-4-methyl-1H-pyrimidin-6-one?
2-(N,S-dimethylsulfonimidoyl)-4-methyl-1H-pyrimidin-6-one has a molecular weight of 201.25 g/mol, XLogP of 0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N,S-dimethylsulfonimidoyl)-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137174767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).