2-N-methyl-6-[(2-methylpropan-2-yl)oxy]-2-N-(thiophen-3-ylmethyl)pyridine-2,5-diamine

C15H21N3OS — CID 43528023

IUPAC2-N-methyl-6-[(2-methylpropan-2-yl)oxy]-2-N-(thiophen-3-ylmethyl)pyridine-2,5-diamine
SMILESCN(Cc1ccsc1)c1ccc(N)c(OC(C)(C)C)n1
InChIInChI=1S/C15H21N3OS/c1-15(2,3)19-14-12(16)5-6-13(17-14)18(4)9-11-7-8-20-10-11/h5-8,10H,9,16H2,1-4H3
InChIKeyPIAMIIAQKDUBMR-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.54
Rot. Bonds4

About 2-N-methyl-6-[(2-methylpropan-2-yl)oxy]-2-N-(thiophen-3-ylmethyl)pyridine-2,5-diamine

2-N-methyl-6-[(2-methylpropan-2-yl)oxy]-2-N-(thiophen-3-ylmethyl)pyridine-2,5-diamine (PubChem CID 43528023) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is 2-N-methyl-6-[(2-methylpropan-2-yl)oxy]-2-N-(thiophen-3-ylmethyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-methyl-6-[(2-methylpropan-2-yl)oxy]-2-N-(thiophen-3-ylmethyl)pyridine-2,5-diamine
PubChem CID43528023
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name2-N-methyl-6-[(2-methylpropan-2-yl)oxy]-2-N-(thiophen-3-ylmethyl)pyridine-2,5-diamine
SMILESCN(Cc1ccsc1)c1ccc(N)c(OC(C)(C)C)n1
InChIInChI=1S/C15H21N3OS/c1-15(2,3)19-14-12(16)5-6-13(17-14)18(4)9-11-7-8-20-10-11/h5-8,10H,9,16H2,1-4H3
InChIKeyPIAMIIAQKDUBMR-UHFFFAOYSA-N
XLogP3.54
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-6-[(2-methylpropan-2-yl)oxy]-2-N-(thiophen-3-ylmethyl)pyridine-2,5-diamine?
The IUPAC name of 2-N-methyl-6-[(2-methylpropan-2-yl)oxy]-2-N-(thiophen-3-ylmethyl)pyridine-2,5-diamine (CID 43528023) is 2-N-methyl-6-[(2-methylpropan-2-yl)oxy]-2-N-(thiophen-3-ylmethyl)pyridine-2,5-diamine.
What is the SMILES notation for 2-N-methyl-6-[(2-methylpropan-2-yl)oxy]-2-N-(thiophen-3-ylmethyl)pyridine-2,5-diamine?
The canonical SMILES for 2-N-methyl-6-[(2-methylpropan-2-yl)oxy]-2-N-(thiophen-3-ylmethyl)pyridine-2,5-diamine is CN(Cc1ccsc1)c1ccc(N)c(OC(C)(C)C)n1.
What is the InChIKey of 2-N-methyl-6-[(2-methylpropan-2-yl)oxy]-2-N-(thiophen-3-ylmethyl)pyridine-2,5-diamine?
The InChIKey is PIAMIIAQKDUBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-15(2,3)19-14-12(16)5-6-13(17-14)18(4)9-11-7-8-20-10-11/h5-8,10H,9,16H2,1-4H3.
What are the key properties of 2-N-methyl-6-[(2-methylpropan-2-yl)oxy]-2-N-(thiophen-3-ylmethyl)pyridine-2,5-diamine?
2-N-methyl-6-[(2-methylpropan-2-yl)oxy]-2-N-(thiophen-3-ylmethyl)pyridine-2,5-diamine has a molecular weight of 291.42 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-6-[(2-methylpropan-2-yl)oxy]-2-N-(thiophen-3-ylmethyl)pyridine-2,5-diamine is sourced from PubChem (CID 43528023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).