6-(2-methylpropoxy)-2-N-(2-thiomorpholin-4-ylethyl)pyridine-2,5-diamine

C15H26N4OS — CID 106324765

IUPAC6-(2-methylpropoxy)-2-N-(2-thiomorpholin-4-ylethyl)pyridine-2,5-diamine
SMILESCC(C)COc1nc(NCCN2CCSCC2)ccc1N
InChIInChI=1S/C15H26N4OS/c1-12(2)11-20-15-13(16)3-4-14(18-15)17-5-6-19-7-9-21-10-8-19/h3-4,12H,5-11,16H2,1-2H3,(H,17,18)
InChIKeyKEQSOYZOBNTTNH-UHFFFAOYSA-N
MW310.47 g/mol
LogP2.16
Rot. Bonds7

About 6-(2-methylpropoxy)-2-N-(2-thiomorpholin-4-ylethyl)pyridine-2,5-diamine

6-(2-methylpropoxy)-2-N-(2-thiomorpholin-4-ylethyl)pyridine-2,5-diamine (PubChem CID 106324765) has the molecular formula C15H26N4OS and a molecular weight of 310.47 g/mol. Its IUPAC name is 6-(2-methylpropoxy)-2-N-(2-thiomorpholin-4-ylethyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name6-(2-methylpropoxy)-2-N-(2-thiomorpholin-4-ylethyl)pyridine-2,5-diamine
PubChem CID106324765
Molecular FormulaC15H26N4OS
Molecular Weight310.47 g/mol
Exact Mass310.18
IUPAC Name6-(2-methylpropoxy)-2-N-(2-thiomorpholin-4-ylethyl)pyridine-2,5-diamine
SMILESCC(C)COc1nc(NCCN2CCSCC2)ccc1N
InChIInChI=1S/C15H26N4OS/c1-12(2)11-20-15-13(16)3-4-14(18-15)17-5-6-19-7-9-21-10-8-19/h3-4,12H,5-11,16H2,1-2H3,(H,17,18)
InChIKeyKEQSOYZOBNTTNH-UHFFFAOYSA-N
XLogP2.16
TPSA63.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpropoxy)-2-N-(2-thiomorpholin-4-ylethyl)pyridine-2,5-diamine?
The IUPAC name of 6-(2-methylpropoxy)-2-N-(2-thiomorpholin-4-ylethyl)pyridine-2,5-diamine (CID 106324765) is 6-(2-methylpropoxy)-2-N-(2-thiomorpholin-4-ylethyl)pyridine-2,5-diamine.
What is the SMILES notation for 6-(2-methylpropoxy)-2-N-(2-thiomorpholin-4-ylethyl)pyridine-2,5-diamine?
The canonical SMILES for 6-(2-methylpropoxy)-2-N-(2-thiomorpholin-4-ylethyl)pyridine-2,5-diamine is CC(C)COc1nc(NCCN2CCSCC2)ccc1N.
What is the InChIKey of 6-(2-methylpropoxy)-2-N-(2-thiomorpholin-4-ylethyl)pyridine-2,5-diamine?
The InChIKey is KEQSOYZOBNTTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4OS/c1-12(2)11-20-15-13(16)3-4-14(18-15)17-5-6-19-7-9-21-10-8-19/h3-4,12H,5-11,16H2,1-2H3,(H,17,18).
What are the key properties of 6-(2-methylpropoxy)-2-N-(2-thiomorpholin-4-ylethyl)pyridine-2,5-diamine?
6-(2-methylpropoxy)-2-N-(2-thiomorpholin-4-ylethyl)pyridine-2,5-diamine has a molecular weight of 310.47 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpropoxy)-2-N-(2-thiomorpholin-4-ylethyl)pyridine-2,5-diamine is sourced from PubChem (CID 106324765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).