2-amino-6-(3-methylbutylsulfanyl)pyridine-3,5-dicarbonitrile

C12H14N4S — CID 2214529

IUPAC2-amino-6-(3-methylbutylsulfanyl)pyridine-3,5-dicarbonitrile
SMILESCC(C)CCSc1nc(N)c(C#N)cc1C#N
InChIInChI=1S/C12H14N4S/c1-8(2)3-4-17-12-10(7-14)5-9(6-13)11(15)16-12/h5,8H,3-4H2,1-2H3,(H2,15,16)
InChIKeyTWBVQIJUXSQGLL-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.55
Rot. Bonds4

About 2-amino-6-(3-methylbutylsulfanyl)pyridine-3,5-dicarbonitrile

2-amino-6-(3-methylbutylsulfanyl)pyridine-3,5-dicarbonitrile (PubChem CID 2214529) has the molecular formula C12H14N4S and a molecular weight of 246.34 g/mol. Its IUPAC name is 2-amino-6-(3-methylbutylsulfanyl)pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-6-(3-methylbutylsulfanyl)pyridine-3,5-dicarbonitrile
PubChem CID2214529
Molecular FormulaC12H14N4S
Molecular Weight246.34 g/mol
Exact Mass246.09
IUPAC Name2-amino-6-(3-methylbutylsulfanyl)pyridine-3,5-dicarbonitrile
SMILESCC(C)CCSc1nc(N)c(C#N)cc1C#N
InChIInChI=1S/C12H14N4S/c1-8(2)3-4-17-12-10(7-14)5-9(6-13)11(15)16-12/h5,8H,3-4H2,1-2H3,(H2,15,16)
InChIKeyTWBVQIJUXSQGLL-UHFFFAOYSA-N
XLogP2.55
TPSA86.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl {[6-amino-3,5-dicyano-4-(propan-2-yl)pyridin-2-yl]sulfanyl}acetate
CID 658599
2-Amino-6-(propylthio)-4-(p-tolyl)pyridine-3,5-dicarbonitrile
CID 660788
2-Amino-6-(butylsulfanyl)-4-(2-thienyl)-3,5-pyridinedicarbonitrile
CID 660914
2-[(6-Amino-3,5-dicyano-2-pyridinyl)thio]acetic acid ethyl ester
CID 753629
2-Amino-4-(4-methylphenyl)-6-(2-methylprop-2-enylsulfanyl)pyridine-3,5-dicarbonitrile
CID 892465
6-Amino-4-phenyl-2-prop-2-enylthiopyridine-3,5-dicarbonitrile
CID 2057307
Isopropyl [(6-amino-3,5-dicyano-2-pyridinyl)thio]acetate
CID 2213745
2-Amino-6-[(cyanomethyl)thio]-4-cyclohexylpyridine-3,5-dicarbonitrile
CID 3237836
6-Amino-2-(cyanomethylthio)-4-(3-fluorophenyl)pyridine-3,5-dicarbonitrile
CID 1900098
2-Amino-6-(benzylsulfanyl)-4-phenylpyridine-3,5-dicarbonitrile
CID 671896
2-Amino-6-(2-morpholin-4-ylethylsulfanyl)pyridine-3,5-dicarbonitrile
CID 911628
2-(Allylthio)-6-amino-4-(p-tolyl)pyridine-3,5-dicarbonitrile
CID 660824

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(3-methylbutylsulfanyl)pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-6-(3-methylbutylsulfanyl)pyridine-3,5-dicarbonitrile (CID 2214529) is 2-amino-6-(3-methylbutylsulfanyl)pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-6-(3-methylbutylsulfanyl)pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-6-(3-methylbutylsulfanyl)pyridine-3,5-dicarbonitrile is CC(C)CCSc1nc(N)c(C#N)cc1C#N.
What is the InChIKey of 2-amino-6-(3-methylbutylsulfanyl)pyridine-3,5-dicarbonitrile?
The InChIKey is TWBVQIJUXSQGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4S/c1-8(2)3-4-17-12-10(7-14)5-9(6-13)11(15)16-12/h5,8H,3-4H2,1-2H3,(H2,15,16).
What are the key properties of 2-amino-6-(3-methylbutylsulfanyl)pyridine-3,5-dicarbonitrile?
2-amino-6-(3-methylbutylsulfanyl)pyridine-3,5-dicarbonitrile has a molecular weight of 246.34 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(3-methylbutylsulfanyl)pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 2214529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).