3-amino-6-(2-methylsulfanylpropylamino)pyridine-2-carbonitrile

C10H14N4S — CID 103469096

IUPAC3-amino-6-(2-methylsulfanylpropylamino)pyridine-2-carbonitrile
SMILESCSC(C)CNc1ccc(N)c(C#N)n1
InChIInChI=1S/C10H14N4S/c1-7(15-2)6-13-10-4-3-8(12)9(5-11)14-10/h3-4,7H,6,12H2,1-2H3,(H,13,14)
InChIKeyKMAPKNKHMCBHGR-UHFFFAOYSA-N
MW222.32 g/mol
LogP1.70
Rot. Bonds4

About 3-amino-6-(2-methylsulfanylpropylamino)pyridine-2-carbonitrile

3-amino-6-(2-methylsulfanylpropylamino)pyridine-2-carbonitrile (PubChem CID 103469096) has the molecular formula C10H14N4S and a molecular weight of 222.32 g/mol. Its IUPAC name is 3-amino-6-(2-methylsulfanylpropylamino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-6-(2-methylsulfanylpropylamino)pyridine-2-carbonitrile
PubChem CID103469096
Molecular FormulaC10H14N4S
Molecular Weight222.32 g/mol
Exact Mass222.09
IUPAC Name3-amino-6-(2-methylsulfanylpropylamino)pyridine-2-carbonitrile
SMILESCSC(C)CNc1ccc(N)c(C#N)n1
InChIInChI=1S/C10H14N4S/c1-7(15-2)6-13-10-4-3-8(12)9(5-11)14-10/h3-4,7H,6,12H2,1-2H3,(H,13,14)
InChIKeyKMAPKNKHMCBHGR-UHFFFAOYSA-N
XLogP1.70
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.32
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-6-[(3-hydroxy-2-methylpropyl)amino]pyridine-2-carbonitrile
CID 103468594
3-amino-6-(2,2-difluoroethylamino)pyridine-2-carbonitrile
CID 103468887
3-amino-6-(3-hydroxybutylamino)pyridine-2-carbonitrile
CID 103468589
3-amino-6-[(2-hydroxy-3-methoxypropyl)amino]pyridine-2-carbonitrile
CID 103468525
3-amino-6-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]pyridine-2-carbonitrile
CID 114151096
3-amino-6-(2-hydroxyethylamino)pyridine-2-carbonitrile
CID 103467344
3-amino-6-[(1-hydroxy-3-methylbutan-2-yl)amino]pyridine-2-carbonitrile
CID 103468731
3-amino-6-[[(E)-pent-3-enyl]amino]pyridine-2-carbonitrile
CID 103469092
3-amino-6-(hexan-2-ylamino)pyridine-2-carbonitrile
CID 103468203
3-amino-6-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]pyridine-2-carbonitrile
CID 106183703
3-amino-6-[(3-hydroxy-4-methoxybutyl)amino]pyridine-2-carbonitrile
CID 106243451
3-amino-6-[(1-hydroxycyclobutyl)methylamino]pyridine-2-carbonitrile
CID 103469214

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(2-methylsulfanylpropylamino)pyridine-2-carbonitrile?
The IUPAC name of 3-amino-6-(2-methylsulfanylpropylamino)pyridine-2-carbonitrile (CID 103469096) is 3-amino-6-(2-methylsulfanylpropylamino)pyridine-2-carbonitrile.
What is the SMILES notation for 3-amino-6-(2-methylsulfanylpropylamino)pyridine-2-carbonitrile?
The canonical SMILES for 3-amino-6-(2-methylsulfanylpropylamino)pyridine-2-carbonitrile is CSC(C)CNc1ccc(N)c(C#N)n1.
What is the InChIKey of 3-amino-6-(2-methylsulfanylpropylamino)pyridine-2-carbonitrile?
The InChIKey is KMAPKNKHMCBHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4S/c1-7(15-2)6-13-10-4-3-8(12)9(5-11)14-10/h3-4,7H,6,12H2,1-2H3,(H,13,14).
What are the key properties of 3-amino-6-(2-methylsulfanylpropylamino)pyridine-2-carbonitrile?
3-amino-6-(2-methylsulfanylpropylamino)pyridine-2-carbonitrile has a molecular weight of 222.32 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(2-methylsulfanylpropylamino)pyridine-2-carbonitrile is sourced from PubChem (CID 103469096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).