2-amino-6-hexylsulfanylpyridine-3,5-dicarbonitrile

C13H16N4S — CID 5037576

IUPAC2-amino-6-hexylsulfanylpyridine-3,5-dicarbonitrile
SMILESCCCCCCSc1nc(N)c(C#N)cc1C#N
InChIInChI=1S/C13H16N4S/c1-2-3-4-5-6-18-13-11(9-15)7-10(8-14)12(16)17-13/h7H,2-6H2,1H3,(H2,16,17)
InChIKeyORIUILDMEDMGMQ-UHFFFAOYSA-N
MW260.37 g/mol
LogP3.08
Rot. Bonds6

About 2-amino-6-hexylsulfanylpyridine-3,5-dicarbonitrile

2-amino-6-hexylsulfanylpyridine-3,5-dicarbonitrile (PubChem CID 5037576) has the molecular formula C13H16N4S and a molecular weight of 260.37 g/mol. Its IUPAC name is 2-amino-6-hexylsulfanylpyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-6-hexylsulfanylpyridine-3,5-dicarbonitrile
PubChem CID5037576
Molecular FormulaC13H16N4S
Molecular Weight260.37 g/mol
Exact Mass260.11
IUPAC Name2-amino-6-hexylsulfanylpyridine-3,5-dicarbonitrile
SMILESCCCCCCSc1nc(N)c(C#N)cc1C#N
InChIInChI=1S/C13H16N4S/c1-2-3-4-5-6-18-13-11(9-15)7-10(8-14)12(16)17-13/h7H,2-6H2,1H3,(H2,16,17)
InChIKeyORIUILDMEDMGMQ-UHFFFAOYSA-N
XLogP3.08
TPSA86.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.37
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-[4-[(2-methylpropan-2-yl)oxy]butylsulfanyl]pyridine-3,5-dicarbonitrile
CID 44615890
4,5-bis(hexadecylsulfanyl)benzene-1,2-dicarbonitrile
CID 101039808
4,5-bis(heptylsulfanyl)benzene-1,2-dicarbonitrile
CID 50901663
6,7-bis(dodecylsulfanyl)naphthalene-2,3-dicarbonitrile
CID 14914662
3-decylsulfanylpyrazin-2-amine
CID 106678948
3-octylsulfanylpyrazin-2-amine
CID 106678549
6-methyl-4-pentylsulfanylpyridine-3-carbonitrile
CID 154854567
2-amino-6-[(4-fluorophenyl)methylsulfanyl]pyridine-3,5-dicarbonitrile
CID 23007482
3-pentylsulfanylpyrazine-2-carbonitrile
CID 103912485
(4,6-dimethyl-2-pentylsulfanyl-3-pyridinyl)methanamine
CID 107751975
2-amino-6-phenylsulfanylpyridine-3,5-dicarbonitrile
CID 11615787
2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(4-bromophenyl)acetamide
CID 1244717

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-hexylsulfanylpyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-6-hexylsulfanylpyridine-3,5-dicarbonitrile (CID 5037576) is 2-amino-6-hexylsulfanylpyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-6-hexylsulfanylpyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-6-hexylsulfanylpyridine-3,5-dicarbonitrile is CCCCCCSc1nc(N)c(C#N)cc1C#N.
What is the InChIKey of 2-amino-6-hexylsulfanylpyridine-3,5-dicarbonitrile?
The InChIKey is ORIUILDMEDMGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4S/c1-2-3-4-5-6-18-13-11(9-15)7-10(8-14)12(16)17-13/h7H,2-6H2,1H3,(H2,16,17).
What are the key properties of 2-amino-6-hexylsulfanylpyridine-3,5-dicarbonitrile?
2-amino-6-hexylsulfanylpyridine-3,5-dicarbonitrile has a molecular weight of 260.37 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-hexylsulfanylpyridine-3,5-dicarbonitrile is sourced from PubChem (CID 5037576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).