2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxy-1-morpholin-4-ylethanone

C12H17N3O3S — CID 3243664

IUPAC2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxy-1-morpholin-4-ylethanone
SMILESCSc1nc(C)cc(OCC(=O)N2CCOCC2)n1
InChIInChI=1S/C12H17N3O3S/c1-9-7-10(14-12(13-9)19-2)18-8-11(16)15-3-5-17-6-4-15/h7H,3-6,8H2,1-2H3
InChIKeyWDOGUUIOOOCGEO-UHFFFAOYSA-N
MW283.35 g/mol
LogP0.74
Rot. Bonds4

About 2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxy-1-morpholin-4-ylethanone

2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxy-1-morpholin-4-ylethanone (PubChem CID 3243664) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxy-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxy-1-morpholin-4-ylethanone
PubChem CID3243664
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxy-1-morpholin-4-ylethanone
SMILESCSc1nc(C)cc(OCC(=O)N2CCOCC2)n1
InChIInChI=1S/C12H17N3O3S/c1-9-7-10(14-12(13-9)19-2)18-8-11(16)15-3-5-17-6-4-15/h7H,3-6,8H2,1-2H3
InChIKeyWDOGUUIOOOCGEO-UHFFFAOYSA-N
XLogP0.74
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxy-1-morpholin-4-ylethanone?
The IUPAC name of 2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxy-1-morpholin-4-ylethanone (CID 3243664) is 2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxy-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxy-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxy-1-morpholin-4-ylethanone is CSc1nc(C)cc(OCC(=O)N2CCOCC2)n1.
What is the InChIKey of 2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxy-1-morpholin-4-ylethanone?
The InChIKey is WDOGUUIOOOCGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-9-7-10(14-12(13-9)19-2)18-8-11(16)15-3-5-17-6-4-15/h7H,3-6,8H2,1-2H3.
What are the key properties of 2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxy-1-morpholin-4-ylethanone?
2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxy-1-morpholin-4-ylethanone has a molecular weight of 283.35 g/mol, XLogP of 0.74, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxy-1-morpholin-4-ylethanone is sourced from PubChem (CID 3243664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).