2-[(4,6-dimethoxypyrimidin-2-yl)methylsulfanyl]-1-(2,6-dimethylmorpholin-4-yl)ethanone

C15H23N3O4S — CID 4171106

IUPAC2-[(4,6-dimethoxypyrimidin-2-yl)methylsulfanyl]-1-(2,6-dimethylmorpholin-4-yl)ethanone
SMILESCOc1cc(OC)nc(CSCC(=O)N2CC(C)OC(C)C2)n1
InChIInChI=1S/C15H23N3O4S/c1-10-6-18(7-11(2)22-10)15(19)9-23-8-12-16-13(20-3)5-14(17-12)21-4/h5,10-11H,6-9H2,1-4H3
InChIKeyZUJYWSDHGBEMSZ-UHFFFAOYSA-N
MW341.43 g/mol
LogP1.36
Rot. Bonds6

About 2-[(4,6-dimethoxypyrimidin-2-yl)methylsulfanyl]-1-(2,6-dimethylmorpholin-4-yl)ethanone

2-[(4,6-dimethoxypyrimidin-2-yl)methylsulfanyl]-1-(2,6-dimethylmorpholin-4-yl)ethanone (PubChem CID 4171106) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is 2-[(4,6-dimethoxypyrimidin-2-yl)methylsulfanyl]-1-(2,6-dimethylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name2-[(4,6-dimethoxypyrimidin-2-yl)methylsulfanyl]-1-(2,6-dimethylmorpholin-4-yl)ethanone
PubChem CID4171106
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC Name2-[(4,6-dimethoxypyrimidin-2-yl)methylsulfanyl]-1-(2,6-dimethylmorpholin-4-yl)ethanone
SMILESCOc1cc(OC)nc(CSCC(=O)N2CC(C)OC(C)C2)n1
InChIInChI=1S/C15H23N3O4S/c1-10-6-18(7-11(2)22-10)15(19)9-23-8-12-16-13(20-3)5-14(17-12)21-4/h5,10-11H,6-9H2,1-4H3
InChIKeyZUJYWSDHGBEMSZ-UHFFFAOYSA-N
XLogP1.36
TPSA73.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimethoxypyrimidin-2-yl)methylsulfanyl]-1-(2,6-dimethylmorpholin-4-yl)ethanone?
The IUPAC name of 2-[(4,6-dimethoxypyrimidin-2-yl)methylsulfanyl]-1-(2,6-dimethylmorpholin-4-yl)ethanone (CID 4171106) is 2-[(4,6-dimethoxypyrimidin-2-yl)methylsulfanyl]-1-(2,6-dimethylmorpholin-4-yl)ethanone.
What is the SMILES notation for 2-[(4,6-dimethoxypyrimidin-2-yl)methylsulfanyl]-1-(2,6-dimethylmorpholin-4-yl)ethanone?
The canonical SMILES for 2-[(4,6-dimethoxypyrimidin-2-yl)methylsulfanyl]-1-(2,6-dimethylmorpholin-4-yl)ethanone is COc1cc(OC)nc(CSCC(=O)N2CC(C)OC(C)C2)n1.
What is the InChIKey of 2-[(4,6-dimethoxypyrimidin-2-yl)methylsulfanyl]-1-(2,6-dimethylmorpholin-4-yl)ethanone?
The InChIKey is ZUJYWSDHGBEMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S/c1-10-6-18(7-11(2)22-10)15(19)9-23-8-12-16-13(20-3)5-14(17-12)21-4/h5,10-11H,6-9H2,1-4H3.
What are the key properties of 2-[(4,6-dimethoxypyrimidin-2-yl)methylsulfanyl]-1-(2,6-dimethylmorpholin-4-yl)ethanone?
2-[(4,6-dimethoxypyrimidin-2-yl)methylsulfanyl]-1-(2,6-dimethylmorpholin-4-yl)ethanone has a molecular weight of 341.43 g/mol, XLogP of 1.36, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dimethoxypyrimidin-2-yl)methylsulfanyl]-1-(2,6-dimethylmorpholin-4-yl)ethanone is sourced from PubChem (CID 4171106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).