2-amino-6-(2-morpholin-4-ylethylsulfanyl)pyridine-3,5-dicarbonitrile

C13H15N5OS — CID 911628

IUPAC2-amino-6-(2-morpholin-4-ylethylsulfanyl)pyridine-3,5-dicarbonitrile
SMILESN#Cc1cc(C#N)c(SCCN2CCOCC2)nc1N
InChIInChI=1S/C13H15N5OS/c14-8-10-7-11(9-15)13(17-12(10)16)20-6-3-18-1-4-19-5-2-18/h7H,1-6H2,(H2,16,17)
InChIKeyUVTYSDKBWGAGRM-UHFFFAOYSA-N
MW289.36 g/mol
LogP0.83
Rot. Bonds4

About 2-amino-6-(2-morpholin-4-ylethylsulfanyl)pyridine-3,5-dicarbonitrile

2-amino-6-(2-morpholin-4-ylethylsulfanyl)pyridine-3,5-dicarbonitrile (PubChem CID 911628) has the molecular formula C13H15N5OS and a molecular weight of 289.36 g/mol. Its IUPAC name is 2-amino-6-(2-morpholin-4-ylethylsulfanyl)pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-6-(2-morpholin-4-ylethylsulfanyl)pyridine-3,5-dicarbonitrile
PubChem CID911628
Molecular FormulaC13H15N5OS
Molecular Weight289.36 g/mol
Exact Mass289.10
IUPAC Name2-amino-6-(2-morpholin-4-ylethylsulfanyl)pyridine-3,5-dicarbonitrile
SMILESN#Cc1cc(C#N)c(SCCN2CCOCC2)nc1N
InChIInChI=1S/C13H15N5OS/c14-8-10-7-11(9-15)13(17-12(10)16)20-6-3-18-1-4-19-5-2-18/h7H,1-6H2,(H2,16,17)
InChIKeyUVTYSDKBWGAGRM-UHFFFAOYSA-N
XLogP0.83
TPSA98.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2-morpholin-4-ylethylsulfanyl)pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-6-(2-morpholin-4-ylethylsulfanyl)pyridine-3,5-dicarbonitrile (CID 911628) is 2-amino-6-(2-morpholin-4-ylethylsulfanyl)pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-6-(2-morpholin-4-ylethylsulfanyl)pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-6-(2-morpholin-4-ylethylsulfanyl)pyridine-3,5-dicarbonitrile is N#Cc1cc(C#N)c(SCCN2CCOCC2)nc1N.
What is the InChIKey of 2-amino-6-(2-morpholin-4-ylethylsulfanyl)pyridine-3,5-dicarbonitrile?
The InChIKey is UVTYSDKBWGAGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5OS/c14-8-10-7-11(9-15)13(17-12(10)16)20-6-3-18-1-4-19-5-2-18/h7H,1-6H2,(H2,16,17).
What are the key properties of 2-amino-6-(2-morpholin-4-ylethylsulfanyl)pyridine-3,5-dicarbonitrile?
2-amino-6-(2-morpholin-4-ylethylsulfanyl)pyridine-3,5-dicarbonitrile has a molecular weight of 289.36 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2-morpholin-4-ylethylsulfanyl)pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 911628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).