2-methoxy-6-methyl-3-[2-(2-methylsulfonylethylamino)ethyl]pyrimidin-4-one

C11H19N3O4S — CID 79374049

IUPAC2-methoxy-6-methyl-3-[2-(2-methylsulfonylethylamino)ethyl]pyrimidin-4-one
SMILESCOc1nc(C)cc(=O)n1CCNCCS(C)(=O)=O
InChIInChI=1S/C11H19N3O4S/c1-9-8-10(15)14(11(13-9)18-2)6-4-12-5-7-19(3,16)17/h8,12H,4-7H2,1-3H3
InChIKeyCFMNCPXUYDJAIN-UHFFFAOYSA-N
MW289.36 g/mol
LogP-0.81
Rot. Bonds7

About 2-methoxy-6-methyl-3-[2-(2-methylsulfonylethylamino)ethyl]pyrimidin-4-one

2-methoxy-6-methyl-3-[2-(2-methylsulfonylethylamino)ethyl]pyrimidin-4-one (PubChem CID 79374049) has the molecular formula C11H19N3O4S and a molecular weight of 289.36 g/mol. Its IUPAC name is 2-methoxy-6-methyl-3-[2-(2-methylsulfonylethylamino)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name2-methoxy-6-methyl-3-[2-(2-methylsulfonylethylamino)ethyl]pyrimidin-4-one
PubChem CID79374049
Molecular FormulaC11H19N3O4S
Molecular Weight289.36 g/mol
Exact Mass289.11
IUPAC Name2-methoxy-6-methyl-3-[2-(2-methylsulfonylethylamino)ethyl]pyrimidin-4-one
SMILESCOc1nc(C)cc(=O)n1CCNCCS(C)(=O)=O
InChIInChI=1S/C11H19N3O4S/c1-9-8-10(15)14(11(13-9)18-2)6-4-12-5-7-19(3,16)17/h8,12H,4-7H2,1-3H3
InChIKeyCFMNCPXUYDJAIN-UHFFFAOYSA-N
XLogP-0.81
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 5-0.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-methyl-3-[2-(2-methylsulfonylethylamino)ethyl]pyrimidin-4-one?
The IUPAC name of 2-methoxy-6-methyl-3-[2-(2-methylsulfonylethylamino)ethyl]pyrimidin-4-one (CID 79374049) is 2-methoxy-6-methyl-3-[2-(2-methylsulfonylethylamino)ethyl]pyrimidin-4-one.
What is the SMILES notation for 2-methoxy-6-methyl-3-[2-(2-methylsulfonylethylamino)ethyl]pyrimidin-4-one?
The canonical SMILES for 2-methoxy-6-methyl-3-[2-(2-methylsulfonylethylamino)ethyl]pyrimidin-4-one is COc1nc(C)cc(=O)n1CCNCCS(C)(=O)=O.
What is the InChIKey of 2-methoxy-6-methyl-3-[2-(2-methylsulfonylethylamino)ethyl]pyrimidin-4-one?
The InChIKey is CFMNCPXUYDJAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4S/c1-9-8-10(15)14(11(13-9)18-2)6-4-12-5-7-19(3,16)17/h8,12H,4-7H2,1-3H3.
What are the key properties of 2-methoxy-6-methyl-3-[2-(2-methylsulfonylethylamino)ethyl]pyrimidin-4-one?
2-methoxy-6-methyl-3-[2-(2-methylsulfonylethylamino)ethyl]pyrimidin-4-one has a molecular weight of 289.36 g/mol, XLogP of -0.81, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-methyl-3-[2-(2-methylsulfonylethylamino)ethyl]pyrimidin-4-one is sourced from PubChem (CID 79374049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).