6-ethoxy-2-N-(1-methylsulfanylbutan-2-yl)pyridine-2,5-diamine

C12H21N3OS — CID 113494426

IUPAC6-ethoxy-2-N-(1-methylsulfanylbutan-2-yl)pyridine-2,5-diamine
SMILESCCOc1nc(NC(CC)CSC)ccc1N
InChIInChI=1S/C12H21N3OS/c1-4-9(8-17-3)14-11-7-6-10(13)12(15-11)16-5-2/h6-7,9H,4-5,8,13H2,1-3H3,(H,14,15)
InChIKeyFVYXLOQQMHCSPM-UHFFFAOYSA-N
MW255.39 g/mol
LogP2.62
Rot. Bonds7

About 6-ethoxy-2-N-(1-methylsulfanylbutan-2-yl)pyridine-2,5-diamine

6-ethoxy-2-N-(1-methylsulfanylbutan-2-yl)pyridine-2,5-diamine (PubChem CID 113494426) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 6-ethoxy-2-N-(1-methylsulfanylbutan-2-yl)pyridine-2,5-diamine.

Molecular Properties

Compound Name6-ethoxy-2-N-(1-methylsulfanylbutan-2-yl)pyridine-2,5-diamine
PubChem CID113494426
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name6-ethoxy-2-N-(1-methylsulfanylbutan-2-yl)pyridine-2,5-diamine
SMILESCCOc1nc(NC(CC)CSC)ccc1N
InChIInChI=1S/C12H21N3OS/c1-4-9(8-17-3)14-11-7-6-10(13)12(15-11)16-5-2/h6-7,9H,4-5,8,13H2,1-3H3,(H,14,15)
InChIKeyFVYXLOQQMHCSPM-UHFFFAOYSA-N
XLogP2.62
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-[1-(dimethylamino)propan-2-yl]-6-ethoxypyridine-2,5-diamine
CID 82945420
6-ethoxy-2-N-(3-methylsulfanylpropyl)pyridine-2,5-diamine
CID 63981193
6-N-(1-methylsulfanylbutan-2-yl)-3-nitropyridine-2,6-diamine
CID 113494870
5-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-2-amine
CID 115899298
6-N-hexan-3-ylpyridine-2,3,6-triamine
CID 79826041
6-chloro-4-N-(1-methylsulfanylbutan-2-yl)pyrimidine-2,4-diamine
CID 115899327
6-ethoxy-2-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-2,5-diamine
CID 61475220
6-ethoxy-2-N-phenylpyridine-2,5-diamine
CID 43261284
2-N-propan-2-yl-6-propoxypyridine-2,5-diamine
CID 43260874
methyl 2-methyl-6-(1-methylsulfanylbutan-2-ylamino)pyridine-3-carboxylate
CID 115899359
6-ethoxy-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine
CID 43261092
6-ethoxy-2-N-(2-ethoxyethyl)pyridine-2,5-diamine
CID 43591109

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-N-(1-methylsulfanylbutan-2-yl)pyridine-2,5-diamine?
The IUPAC name of 6-ethoxy-2-N-(1-methylsulfanylbutan-2-yl)pyridine-2,5-diamine (CID 113494426) is 6-ethoxy-2-N-(1-methylsulfanylbutan-2-yl)pyridine-2,5-diamine.
What is the SMILES notation for 6-ethoxy-2-N-(1-methylsulfanylbutan-2-yl)pyridine-2,5-diamine?
The canonical SMILES for 6-ethoxy-2-N-(1-methylsulfanylbutan-2-yl)pyridine-2,5-diamine is CCOc1nc(NC(CC)CSC)ccc1N.
What is the InChIKey of 6-ethoxy-2-N-(1-methylsulfanylbutan-2-yl)pyridine-2,5-diamine?
The InChIKey is FVYXLOQQMHCSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-4-9(8-17-3)14-11-7-6-10(13)12(15-11)16-5-2/h6-7,9H,4-5,8,13H2,1-3H3,(H,14,15).
What are the key properties of 6-ethoxy-2-N-(1-methylsulfanylbutan-2-yl)pyridine-2,5-diamine?
6-ethoxy-2-N-(1-methylsulfanylbutan-2-yl)pyridine-2,5-diamine has a molecular weight of 255.39 g/mol, XLogP of 2.62, 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-(1-methylsulfanylbutan-2-yl)pyridine-2,5-diamine is sourced from PubChem (CID 113494426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).