2-(4,6-dimorpholin-4-ylpyrimidin-2-yl)sulfanylacetic acid

C14H20N4O4S — CID 23993191

IUPAC2-(4,6-dimorpholin-4-ylpyrimidin-2-yl)sulfanylacetic acid
SMILESO=C(O)CSc1nc(N2CCOCC2)cc(N2CCOCC2)n1
InChIInChI=1S/C14H20N4O4S/c19-13(20)10-23-14-15-11(17-1-5-21-6-2-17)9-12(16-14)18-3-7-22-8-4-18/h9H,1-8,10H2,(H,19,20)
InChIKeyOSGLUGUTXHGJRN-UHFFFAOYSA-N
MW340.41 g/mol
LogP0.33
Rot. Bonds5

About 2-(4,6-dimorpholin-4-ylpyrimidin-2-yl)sulfanylacetic acid

2-(4,6-dimorpholin-4-ylpyrimidin-2-yl)sulfanylacetic acid (PubChem CID 23993191) has the molecular formula C14H20N4O4S and a molecular weight of 340.41 g/mol. Its IUPAC name is 2-(4,6-dimorpholin-4-ylpyrimidin-2-yl)sulfanylacetic acid.

Molecular Properties

Compound Name2-(4,6-dimorpholin-4-ylpyrimidin-2-yl)sulfanylacetic acid
PubChem CID23993191
Molecular FormulaC14H20N4O4S
Molecular Weight340.41 g/mol
Exact Mass340.12
IUPAC Name2-(4,6-dimorpholin-4-ylpyrimidin-2-yl)sulfanylacetic acid
SMILESO=C(O)CSc1nc(N2CCOCC2)cc(N2CCOCC2)n1
InChIInChI=1S/C14H20N4O4S/c19-13(20)10-23-14-15-11(17-1-5-21-6-2-17)9-12(16-14)18-3-7-22-8-4-18/h9H,1-8,10H2,(H,19,20)
InChIKeyOSGLUGUTXHGJRN-UHFFFAOYSA-N
XLogP0.33
TPSA88.02 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimorpholin-4-ylpyrimidin-2-yl)sulfanylacetic acid?
The IUPAC name of 2-(4,6-dimorpholin-4-ylpyrimidin-2-yl)sulfanylacetic acid (CID 23993191) is 2-(4,6-dimorpholin-4-ylpyrimidin-2-yl)sulfanylacetic acid.
What is the SMILES notation for 2-(4,6-dimorpholin-4-ylpyrimidin-2-yl)sulfanylacetic acid?
The canonical SMILES for 2-(4,6-dimorpholin-4-ylpyrimidin-2-yl)sulfanylacetic acid is O=C(O)CSc1nc(N2CCOCC2)cc(N2CCOCC2)n1.
What is the InChIKey of 2-(4,6-dimorpholin-4-ylpyrimidin-2-yl)sulfanylacetic acid?
The InChIKey is OSGLUGUTXHGJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O4S/c19-13(20)10-23-14-15-11(17-1-5-21-6-2-17)9-12(16-14)18-3-7-22-8-4-18/h9H,1-8,10H2,(H,19,20).
What are the key properties of 2-(4,6-dimorpholin-4-ylpyrimidin-2-yl)sulfanylacetic acid?
2-(4,6-dimorpholin-4-ylpyrimidin-2-yl)sulfanylacetic acid has a molecular weight of 340.41 g/mol, XLogP of 0.33, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimorpholin-4-ylpyrimidin-2-yl)sulfanylacetic acid is sourced from PubChem (CID 23993191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).