6-ethoxy-2-N-(3-methylsulfanylpropyl)pyridine-2,5-diamine

C11H19N3OS — CID 63981193

IUPAC6-ethoxy-2-N-(3-methylsulfanylpropyl)pyridine-2,5-diamine
SMILESCCOc1nc(NCCCSC)ccc1N
InChIInChI=1S/C11H19N3OS/c1-3-15-11-9(12)5-6-10(14-11)13-7-4-8-16-2/h5-6H,3-4,7-8,12H2,1-2H3,(H,13,14)
InChIKeyZGHVGUZBWINPKH-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.23
Rot. Bonds7

About 6-ethoxy-2-N-(3-methylsulfanylpropyl)pyridine-2,5-diamine

6-ethoxy-2-N-(3-methylsulfanylpropyl)pyridine-2,5-diamine (PubChem CID 63981193) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 6-ethoxy-2-N-(3-methylsulfanylpropyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name6-ethoxy-2-N-(3-methylsulfanylpropyl)pyridine-2,5-diamine
PubChem CID63981193
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name6-ethoxy-2-N-(3-methylsulfanylpropyl)pyridine-2,5-diamine
SMILESCCOc1nc(NCCCSC)ccc1N
InChIInChI=1S/C11H19N3OS/c1-3-15-11-9(12)5-6-10(14-11)13-7-4-8-16-2/h5-6H,3-4,7-8,12H2,1-2H3,(H,13,14)
InChIKeyZGHVGUZBWINPKH-UHFFFAOYSA-N
XLogP2.23
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(5-amino-6-ethoxy-2-pyridinyl)amino]pentan-2-ol
CID 114146045
6-ethoxy-2-N-(2-ethoxyethyl)pyridine-2,5-diamine
CID 43591109
2-N-[2-(dimethylamino)ethyl]-6-ethoxypyridine-2,5-diamine
CID 43260939
5-[(5-amino-6-ethoxy-2-pyridinyl)amino]-2-methylpentan-1-ol
CID 114150970
2-[(5-amino-6-ethoxy-2-pyridinyl)amino]ethanesulfonamide
CID 43551624
6-[(2-methylpropan-2-yl)oxy]-2-N-(2-methylsulfanylethyl)pyridine-2,5-diamine
CID 63982043
methyl 3-[(5-amino-6-ethoxy-2-pyridinyl)amino]propanoate
CID 61295169
6-ethoxy-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine
CID 43261092
6-ethoxy-2-N-(1-methylsulfanylbutan-2-yl)pyridine-2,5-diamine
CID 113494426
6-ethoxy-2-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-2,5-diamine
CID 43261070
6-ethoxy-2-N-[(4-methylphenyl)methyl]pyridine-2,5-diamine
CID 43261190
2-ethoxy-N-(3-methylsulfanylpropyl)pyridin-3-amine
CID 43706143

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-N-(3-methylsulfanylpropyl)pyridine-2,5-diamine?
The IUPAC name of 6-ethoxy-2-N-(3-methylsulfanylpropyl)pyridine-2,5-diamine (CID 63981193) is 6-ethoxy-2-N-(3-methylsulfanylpropyl)pyridine-2,5-diamine.
What is the SMILES notation for 6-ethoxy-2-N-(3-methylsulfanylpropyl)pyridine-2,5-diamine?
The canonical SMILES for 6-ethoxy-2-N-(3-methylsulfanylpropyl)pyridine-2,5-diamine is CCOc1nc(NCCCSC)ccc1N.
What is the InChIKey of 6-ethoxy-2-N-(3-methylsulfanylpropyl)pyridine-2,5-diamine?
The InChIKey is ZGHVGUZBWINPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-3-15-11-9(12)5-6-10(14-11)13-7-4-8-16-2/h5-6H,3-4,7-8,12H2,1-2H3,(H,13,14).
What are the key properties of 6-ethoxy-2-N-(3-methylsulfanylpropyl)pyridine-2,5-diamine?
6-ethoxy-2-N-(3-methylsulfanylpropyl)pyridine-2,5-diamine has a molecular weight of 241.36 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-N-(3-methylsulfanylpropyl)pyridine-2,5-diamine is sourced from PubChem (CID 63981193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).