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

C15H21N3OS — CID 43261144

IUPAC6-(2-methylpropoxy)-2-N-(2-thiophen-2-ylethyl)pyridine-2,5-diamine
SMILESCC(C)COc1nc(NCCc2cccs2)ccc1N
InChIInChI=1S/C15H21N3OS/c1-11(2)10-19-15-13(16)5-6-14(18-15)17-8-7-12-4-3-9-20-12/h3-6,9,11H,7-8,10,16H2,1-2H3,(H,17,18)
InChIKeyNHVMAFPJPLJPHN-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.41
Rot. Bonds7

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

6-(2-methylpropoxy)-2-N-(2-thiophen-2-ylethyl)pyridine-2,5-diamine (PubChem CID 43261144) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is 6-(2-methylpropoxy)-2-N-(2-thiophen-2-ylethyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name6-(2-methylpropoxy)-2-N-(2-thiophen-2-ylethyl)pyridine-2,5-diamine
PubChem CID43261144
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name6-(2-methylpropoxy)-2-N-(2-thiophen-2-ylethyl)pyridine-2,5-diamine
SMILESCC(C)COc1nc(NCCc2cccs2)ccc1N
InChIInChI=1S/C15H21N3OS/c1-11(2)10-19-15-13(16)5-6-14(18-15)17-8-7-12-4-3-9-20-12/h3-6,9,11H,7-8,10,16H2,1-2H3,(H,17,18)
InChIKeyNHVMAFPJPLJPHN-UHFFFAOYSA-N
XLogP3.41
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpropoxy)-2-N-(2-thiophen-2-ylethyl)pyridine-2,5-diamine?
The IUPAC name of 6-(2-methylpropoxy)-2-N-(2-thiophen-2-ylethyl)pyridine-2,5-diamine (CID 43261144) is 6-(2-methylpropoxy)-2-N-(2-thiophen-2-ylethyl)pyridine-2,5-diamine.
What is the SMILES notation for 6-(2-methylpropoxy)-2-N-(2-thiophen-2-ylethyl)pyridine-2,5-diamine?
The canonical SMILES for 6-(2-methylpropoxy)-2-N-(2-thiophen-2-ylethyl)pyridine-2,5-diamine is CC(C)COc1nc(NCCc2cccs2)ccc1N.
What is the InChIKey of 6-(2-methylpropoxy)-2-N-(2-thiophen-2-ylethyl)pyridine-2,5-diamine?
The InChIKey is NHVMAFPJPLJPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-11(2)10-19-15-13(16)5-6-14(18-15)17-8-7-12-4-3-9-20-12/h3-6,9,11H,7-8,10,16H2,1-2H3,(H,17,18).
What are the key properties of 6-(2-methylpropoxy)-2-N-(2-thiophen-2-ylethyl)pyridine-2,5-diamine?
6-(2-methylpropoxy)-2-N-(2-thiophen-2-ylethyl)pyridine-2,5-diamine has a molecular weight of 291.42 g/mol, XLogP of 3.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpropoxy)-2-N-(2-thiophen-2-ylethyl)pyridine-2,5-diamine is sourced from PubChem (CID 43261144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).