2-(2-methyl-6-thiomorpholin-4-ylpyrimidin-4-yl)oxyethanamine

C11H18N4OS — CID 121206118

IUPAC2-(2-methyl-6-thiomorpholin-4-ylpyrimidin-4-yl)oxyethanamine
SMILESCc1nc(OCCN)cc(N2CCSCC2)n1
InChIInChI=1S/C11H18N4OS/c1-9-13-10(15-3-6-17-7-4-15)8-11(14-9)16-5-2-12/h8H,2-7,12H2,1H3
InChIKeyKBOFRDGYCOGOAC-UHFFFAOYSA-N
MW254.36 g/mol
LogP0.68
Rot. Bonds4

About 2-(2-methyl-6-thiomorpholin-4-ylpyrimidin-4-yl)oxyethanamine

2-(2-methyl-6-thiomorpholin-4-ylpyrimidin-4-yl)oxyethanamine (PubChem CID 121206118) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is 2-(2-methyl-6-thiomorpholin-4-ylpyrimidin-4-yl)oxyethanamine.

Molecular Properties

Compound Name2-(2-methyl-6-thiomorpholin-4-ylpyrimidin-4-yl)oxyethanamine
PubChem CID121206118
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name2-(2-methyl-6-thiomorpholin-4-ylpyrimidin-4-yl)oxyethanamine
SMILESCc1nc(OCCN)cc(N2CCSCC2)n1
InChIInChI=1S/C11H18N4OS/c1-9-13-10(15-3-6-17-7-4-15)8-11(14-9)16-5-2-12/h8H,2-7,12H2,1H3
InChIKeyKBOFRDGYCOGOAC-UHFFFAOYSA-N
XLogP0.68
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-6-thiomorpholin-4-ylpyrimidin-4-yl)oxyethanamine?
The IUPAC name of 2-(2-methyl-6-thiomorpholin-4-ylpyrimidin-4-yl)oxyethanamine (CID 121206118) is 2-(2-methyl-6-thiomorpholin-4-ylpyrimidin-4-yl)oxyethanamine.
What is the SMILES notation for 2-(2-methyl-6-thiomorpholin-4-ylpyrimidin-4-yl)oxyethanamine?
The canonical SMILES for 2-(2-methyl-6-thiomorpholin-4-ylpyrimidin-4-yl)oxyethanamine is Cc1nc(OCCN)cc(N2CCSCC2)n1.
What is the InChIKey of 2-(2-methyl-6-thiomorpholin-4-ylpyrimidin-4-yl)oxyethanamine?
The InChIKey is KBOFRDGYCOGOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-9-13-10(15-3-6-17-7-4-15)8-11(14-9)16-5-2-12/h8H,2-7,12H2,1H3.
What are the key properties of 2-(2-methyl-6-thiomorpholin-4-ylpyrimidin-4-yl)oxyethanamine?
2-(2-methyl-6-thiomorpholin-4-ylpyrimidin-4-yl)oxyethanamine has a molecular weight of 254.36 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-6-thiomorpholin-4-ylpyrimidin-4-yl)oxyethanamine is sourced from PubChem (CID 121206118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).