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

C15H21N3OS — CID 43261143

IUPAC6-[(2-methylpropan-2-yl)oxy]-2-N-(2-thiophen-2-ylethyl)pyridine-2,5-diamine
SMILESCC(C)(C)Oc1nc(NCCc2cccs2)ccc1N
InChIInChI=1S/C15H21N3OS/c1-15(2,3)19-14-12(16)6-7-13(18-14)17-9-8-11-5-4-10-20-11/h4-7,10H,8-9,16H2,1-3H3,(H,17,18)
InChIKeyKKCBQHJRTVCBPD-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.56
Rot. Bonds5

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

6-[(2-methylpropan-2-yl)oxy]-2-N-(2-thiophen-2-ylethyl)pyridine-2,5-diamine (PubChem CID 43261143) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is 6-[(2-methylpropan-2-yl)oxy]-2-N-(2-thiophen-2-ylethyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name6-[(2-methylpropan-2-yl)oxy]-2-N-(2-thiophen-2-ylethyl)pyridine-2,5-diamine
PubChem CID43261143
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name6-[(2-methylpropan-2-yl)oxy]-2-N-(2-thiophen-2-ylethyl)pyridine-2,5-diamine
SMILESCC(C)(C)Oc1nc(NCCc2cccs2)ccc1N
InChIInChI=1S/C15H21N3OS/c1-15(2,3)19-14-12(16)6-7-13(18-14)17-9-8-11-5-4-10-20-11/h4-7,10H,8-9,16H2,1-3H3,(H,17,18)
InChIKeyKKCBQHJRTVCBPD-UHFFFAOYSA-N
XLogP3.56
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-methylpropan-2-yl)oxy]-2-N-(2-thiophen-2-ylethyl)pyridine-2,5-diamine?
The IUPAC name of 6-[(2-methylpropan-2-yl)oxy]-2-N-(2-thiophen-2-ylethyl)pyridine-2,5-diamine (CID 43261143) is 6-[(2-methylpropan-2-yl)oxy]-2-N-(2-thiophen-2-ylethyl)pyridine-2,5-diamine.
What is the SMILES notation for 6-[(2-methylpropan-2-yl)oxy]-2-N-(2-thiophen-2-ylethyl)pyridine-2,5-diamine?
The canonical SMILES for 6-[(2-methylpropan-2-yl)oxy]-2-N-(2-thiophen-2-ylethyl)pyridine-2,5-diamine is CC(C)(C)Oc1nc(NCCc2cccs2)ccc1N.
What is the InChIKey of 6-[(2-methylpropan-2-yl)oxy]-2-N-(2-thiophen-2-ylethyl)pyridine-2,5-diamine?
The InChIKey is KKCBQHJRTVCBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-15(2,3)19-14-12(16)6-7-13(18-14)17-9-8-11-5-4-10-20-11/h4-7,10H,8-9,16H2,1-3H3,(H,17,18).
What are the key properties of 6-[(2-methylpropan-2-yl)oxy]-2-N-(2-thiophen-2-ylethyl)pyridine-2,5-diamine?
6-[(2-methylpropan-2-yl)oxy]-2-N-(2-thiophen-2-ylethyl)pyridine-2,5-diamine has a molecular weight of 291.42 g/mol, XLogP of 3.56, 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-thiophen-2-ylethyl)pyridine-2,5-diamine is sourced from PubChem (CID 43261143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).