2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylacetic acid

C11H15N3O3S — CID 723195

IUPAC2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylacetic acid
SMILESCc1cc(N2CCOCC2)nc(SCC(=O)O)n1
InChIInChI=1S/C11H15N3O3S/c1-8-6-9(14-2-4-17-5-3-14)13-11(12-8)18-7-10(15)16/h6H,2-5,7H2,1H3,(H,15,16)
InChIKeyHPHQJXBLTTXGLW-UHFFFAOYSA-N
MW269.33 g/mol
LogP0.80
Rot. Bonds4

About 2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylacetic acid

2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylacetic acid (PubChem CID 723195) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is 2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylacetic acid.

Molecular Properties

Compound Name2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylacetic acid
PubChem CID723195
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC Name2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylacetic acid
SMILESCc1cc(N2CCOCC2)nc(SCC(=O)O)n1
InChIInChI=1S/C11H15N3O3S/c1-8-6-9(14-2-4-17-5-3-14)13-11(12-8)18-7-10(15)16/h6H,2-5,7H2,1H3,(H,15,16)
InChIKeyHPHQJXBLTTXGLW-UHFFFAOYSA-N
XLogP0.80
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylacetic acid?
The IUPAC name of 2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylacetic acid (CID 723195) is 2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylacetic acid.
What is the SMILES notation for 2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylacetic acid?
The canonical SMILES for 2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylacetic acid is Cc1cc(N2CCOCC2)nc(SCC(=O)O)n1.
What is the InChIKey of 2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylacetic acid?
The InChIKey is HPHQJXBLTTXGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c1-8-6-9(14-2-4-17-5-3-14)13-11(12-8)18-7-10(15)16/h6H,2-5,7H2,1H3,(H,15,16).
What are the key properties of 2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylacetic acid?
2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylacetic acid has a molecular weight of 269.33 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylacetic acid is sourced from PubChem (CID 723195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).