3-methyl-6-methylsulfanyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)pyrimidin-4-one

C14H23N3O2S — CID 176666537

IUPAC3-methyl-6-methylsulfanyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)pyrimidin-4-one
SMILESCSc1cc(=O)n(C)c(N2CC(C)(C)OC(C)(C)C2)n1
InChIInChI=1S/C14H23N3O2S/c1-13(2)8-17(9-14(3,4)19-13)12-15-10(20-6)7-11(18)16(12)5/h7H,8-9H2,1-6H3
InChIKeyZKNWWXSRHBZJAA-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.90
Rot. Bonds2

About 3-methyl-6-methylsulfanyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)pyrimidin-4-one

3-methyl-6-methylsulfanyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)pyrimidin-4-one (PubChem CID 176666537) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 3-methyl-6-methylsulfanyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)pyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-6-methylsulfanyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)pyrimidin-4-one
PubChem CID176666537
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name3-methyl-6-methylsulfanyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)pyrimidin-4-one
SMILESCSc1cc(=O)n(C)c(N2CC(C)(C)OC(C)(C)C2)n1
InChIInChI=1S/C14H23N3O2S/c1-13(2)8-17(9-14(3,4)19-13)12-15-10(20-6)7-11(18)16(12)5/h7H,8-9H2,1-6H3
InChIKeyZKNWWXSRHBZJAA-UHFFFAOYSA-N
XLogP1.90
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-methylsulfanyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)pyrimidin-4-one?
The IUPAC name of 3-methyl-6-methylsulfanyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)pyrimidin-4-one (CID 176666537) is 3-methyl-6-methylsulfanyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)pyrimidin-4-one.
What is the SMILES notation for 3-methyl-6-methylsulfanyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)pyrimidin-4-one?
The canonical SMILES for 3-methyl-6-methylsulfanyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)pyrimidin-4-one is CSc1cc(=O)n(C)c(N2CC(C)(C)OC(C)(C)C2)n1.
What is the InChIKey of 3-methyl-6-methylsulfanyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)pyrimidin-4-one?
The InChIKey is ZKNWWXSRHBZJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-13(2)8-17(9-14(3,4)19-13)12-15-10(20-6)7-11(18)16(12)5/h7H,8-9H2,1-6H3.
What are the key properties of 3-methyl-6-methylsulfanyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)pyrimidin-4-one?
3-methyl-6-methylsulfanyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)pyrimidin-4-one has a molecular weight of 297.42 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-methylsulfanyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)pyrimidin-4-one is sourced from PubChem (CID 176666537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).