2-methoxy-6-methyl-3-(2-propylsulfonylethyl)pyrimidin-4-one

C11H18N2O4S — CID 106731590

IUPAC2-methoxy-6-methyl-3-(2-propylsulfonylethyl)pyrimidin-4-one
SMILESCCCS(=O)(=O)CCn1c(OC)nc(C)cc1=O
InChIInChI=1S/C11H18N2O4S/c1-4-6-18(15,16)7-5-13-10(14)8-9(2)12-11(13)17-3/h8H,4-7H2,1-3H3
InChIKeyOSMMCXUYQBUVMN-UHFFFAOYSA-N
MW274.34 g/mol
LogP0.39
Rot. Bonds6

About 2-methoxy-6-methyl-3-(2-propylsulfonylethyl)pyrimidin-4-one

2-methoxy-6-methyl-3-(2-propylsulfonylethyl)pyrimidin-4-one (PubChem CID 106731590) has the molecular formula C11H18N2O4S and a molecular weight of 274.34 g/mol. Its IUPAC name is 2-methoxy-6-methyl-3-(2-propylsulfonylethyl)pyrimidin-4-one.

Molecular Properties

Compound Name2-methoxy-6-methyl-3-(2-propylsulfonylethyl)pyrimidin-4-one
PubChem CID106731590
Molecular FormulaC11H18N2O4S
Molecular Weight274.34 g/mol
Exact Mass274.10
IUPAC Name2-methoxy-6-methyl-3-(2-propylsulfonylethyl)pyrimidin-4-one
SMILESCCCS(=O)(=O)CCn1c(OC)nc(C)cc1=O
InChIInChI=1S/C11H18N2O4S/c1-4-6-18(15,16)7-5-13-10(14)8-9(2)12-11(13)17-3/h8H,4-7H2,1-3H3
InChIKeyOSMMCXUYQBUVMN-UHFFFAOYSA-N
XLogP0.39
TPSA78.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-methyl-3-(2-propylsulfonylethyl)pyrimidin-4-one?
The IUPAC name of 2-methoxy-6-methyl-3-(2-propylsulfonylethyl)pyrimidin-4-one (CID 106731590) is 2-methoxy-6-methyl-3-(2-propylsulfonylethyl)pyrimidin-4-one.
What is the SMILES notation for 2-methoxy-6-methyl-3-(2-propylsulfonylethyl)pyrimidin-4-one?
The canonical SMILES for 2-methoxy-6-methyl-3-(2-propylsulfonylethyl)pyrimidin-4-one is CCCS(=O)(=O)CCn1c(OC)nc(C)cc1=O.
What is the InChIKey of 2-methoxy-6-methyl-3-(2-propylsulfonylethyl)pyrimidin-4-one?
The InChIKey is OSMMCXUYQBUVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S/c1-4-6-18(15,16)7-5-13-10(14)8-9(2)12-11(13)17-3/h8H,4-7H2,1-3H3.
What are the key properties of 2-methoxy-6-methyl-3-(2-propylsulfonylethyl)pyrimidin-4-one?
2-methoxy-6-methyl-3-(2-propylsulfonylethyl)pyrimidin-4-one has a molecular weight of 274.34 g/mol, XLogP of 0.39, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-methyl-3-(2-propylsulfonylethyl)pyrimidin-4-one is sourced from PubChem (CID 106731590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).