6-[(2-methylpropan-2-yl)oxy]-2-N-(2-methylsulfanylethyl)pyridine-2,5-diamine

C12H21N3OS — CID 63982043

IUPAC6-[(2-methylpropan-2-yl)oxy]-2-N-(2-methylsulfanylethyl)pyridine-2,5-diamine
SMILESCSCCNc1ccc(N)c(OC(C)(C)C)n1
InChIInChI=1S/C12H21N3OS/c1-12(2,3)16-11-9(13)5-6-10(15-11)14-7-8-17-4/h5-6H,7-8,13H2,1-4H3,(H,14,15)
InChIKeyDDWNKXCWFFBODV-UHFFFAOYSA-N
MW255.39 g/mol
LogP2.62
Rot. Bonds5

About 6-[(2-methylpropan-2-yl)oxy]-2-N-(2-methylsulfanylethyl)pyridine-2,5-diamine

6-[(2-methylpropan-2-yl)oxy]-2-N-(2-methylsulfanylethyl)pyridine-2,5-diamine (PubChem CID 63982043) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 6-[(2-methylpropan-2-yl)oxy]-2-N-(2-methylsulfanylethyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name6-[(2-methylpropan-2-yl)oxy]-2-N-(2-methylsulfanylethyl)pyridine-2,5-diamine
PubChem CID63982043
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name6-[(2-methylpropan-2-yl)oxy]-2-N-(2-methylsulfanylethyl)pyridine-2,5-diamine
SMILESCSCCNc1ccc(N)c(OC(C)(C)C)n1
InChIInChI=1S/C12H21N3OS/c1-12(2,3)16-11-9(13)5-6-10(15-11)14-7-8-17-4/h5-6H,7-8,13H2,1-4H3,(H,14,15)
InChIKeyDDWNKXCWFFBODV-UHFFFAOYSA-N
XLogP2.62
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-methylpropan-2-yl)oxy]-2-N-(2-methylsulfanylethyl)pyridine-2,5-diamine?
The IUPAC name of 6-[(2-methylpropan-2-yl)oxy]-2-N-(2-methylsulfanylethyl)pyridine-2,5-diamine (CID 63982043) is 6-[(2-methylpropan-2-yl)oxy]-2-N-(2-methylsulfanylethyl)pyridine-2,5-diamine.
What is the SMILES notation for 6-[(2-methylpropan-2-yl)oxy]-2-N-(2-methylsulfanylethyl)pyridine-2,5-diamine?
The canonical SMILES for 6-[(2-methylpropan-2-yl)oxy]-2-N-(2-methylsulfanylethyl)pyridine-2,5-diamine is CSCCNc1ccc(N)c(OC(C)(C)C)n1.
What is the InChIKey of 6-[(2-methylpropan-2-yl)oxy]-2-N-(2-methylsulfanylethyl)pyridine-2,5-diamine?
The InChIKey is DDWNKXCWFFBODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-12(2,3)16-11-9(13)5-6-10(15-11)14-7-8-17-4/h5-6H,7-8,13H2,1-4H3,(H,14,15).
What are the key properties of 6-[(2-methylpropan-2-yl)oxy]-2-N-(2-methylsulfanylethyl)pyridine-2,5-diamine?
6-[(2-methylpropan-2-yl)oxy]-2-N-(2-methylsulfanylethyl)pyridine-2,5-diamine has a molecular weight of 255.39 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methylpropan-2-yl)oxy]-2-N-(2-methylsulfanylethyl)pyridine-2,5-diamine is sourced from PubChem (CID 63982043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).