6-(2-methylpropoxy)-2-N-thiophen-3-ylpyridine-2,5-diamine

C13H17N3OS — CID 66351449

IUPAC6-(2-methylpropoxy)-2-N-thiophen-3-ylpyridine-2,5-diamine
SMILESCC(C)COc1nc(Nc2ccsc2)ccc1N
InChIInChI=1S/C13H17N3OS/c1-9(2)7-17-13-11(14)3-4-12(16-13)15-10-5-6-18-8-10/h3-6,8-9H,7,14H2,1-2H3,(H,15,16)
InChIKeyHRJBICWKHJMHGQ-UHFFFAOYSA-N
MW263.37 g/mol
LogP3.50
Rot. Bonds5

About 6-(2-methylpropoxy)-2-N-thiophen-3-ylpyridine-2,5-diamine

6-(2-methylpropoxy)-2-N-thiophen-3-ylpyridine-2,5-diamine (PubChem CID 66351449) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 6-(2-methylpropoxy)-2-N-thiophen-3-ylpyridine-2,5-diamine.

Molecular Properties

Compound Name6-(2-methylpropoxy)-2-N-thiophen-3-ylpyridine-2,5-diamine
PubChem CID66351449
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name6-(2-methylpropoxy)-2-N-thiophen-3-ylpyridine-2,5-diamine
SMILESCC(C)COc1nc(Nc2ccsc2)ccc1N
InChIInChI=1S/C13H17N3OS/c1-9(2)7-17-13-11(14)3-4-12(16-13)15-10-5-6-18-8-10/h3-6,8-9H,7,14H2,1-2H3,(H,15,16)
InChIKeyHRJBICWKHJMHGQ-UHFFFAOYSA-N
XLogP3.50
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-propoxy-2-N-thiophen-3-ylpyridine-2,5-diamine
CID 66351232
6-(2-methylpropoxy)-2-N-(1-methylpyrazol-4-yl)pyridine-2,5-diamine
CID 79770641
2-N-(3-fluoro-5-methylphenyl)-6-(2-methylpropoxy)pyridine-2,5-diamine
CID 79041425
6-(2-methylpropoxy)-2-N-(1-thiophen-2-ylethyl)pyridine-2,5-diamine
CID 43534372
2-[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]propan-1-ol
CID 43498930
2-N-(5-chloro-2-fluorophenyl)-6-(2-methylpropoxy)pyridine-2,5-diamine
CID 43438422
2-N-(2,4-dichlorophenyl)-6-(2-methylpropoxy)pyridine-2,5-diamine
CID 43261371
2-N-(4-methylpiperazin-1-yl)-6-(2-methylpropoxy)pyridine-2,5-diamine
CID 83005376
2-N-(2-chloro-4-methylphenyl)-6-(2-methylpropoxy)pyridine-2,5-diamine
CID 43261762
3-[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]propan-1-ol
CID 43261814
2-N-(5-methylhexyl)-6-(2-methylpropoxy)pyridine-2,5-diamine
CID 115324708
2-N-(5-bromo-2-fluorophenyl)-6-(2-methylpropoxy)pyridine-2,5-diamine
CID 43555561

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpropoxy)-2-N-thiophen-3-ylpyridine-2,5-diamine?
The IUPAC name of 6-(2-methylpropoxy)-2-N-thiophen-3-ylpyridine-2,5-diamine (CID 66351449) is 6-(2-methylpropoxy)-2-N-thiophen-3-ylpyridine-2,5-diamine.
What is the SMILES notation for 6-(2-methylpropoxy)-2-N-thiophen-3-ylpyridine-2,5-diamine?
The canonical SMILES for 6-(2-methylpropoxy)-2-N-thiophen-3-ylpyridine-2,5-diamine is CC(C)COc1nc(Nc2ccsc2)ccc1N.
What is the InChIKey of 6-(2-methylpropoxy)-2-N-thiophen-3-ylpyridine-2,5-diamine?
The InChIKey is HRJBICWKHJMHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-9(2)7-17-13-11(14)3-4-12(16-13)15-10-5-6-18-8-10/h3-6,8-9H,7,14H2,1-2H3,(H,15,16).
What are the key properties of 6-(2-methylpropoxy)-2-N-thiophen-3-ylpyridine-2,5-diamine?
6-(2-methylpropoxy)-2-N-thiophen-3-ylpyridine-2,5-diamine has a molecular weight of 263.37 g/mol, XLogP of 3.50, 5 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-thiophen-3-ylpyridine-2,5-diamine is sourced from PubChem (CID 66351449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).