2-cyclopropyl-2-[[4-methylsulfanyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]propanenitrile

C13H20N6S — CID 154198786

IUPAC2-cyclopropyl-2-[[4-methylsulfanyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]propanenitrile
SMILESCSc1nc(NC(C)C)nc(NC(C)(C#N)C2CC2)n1
InChIInChI=1S/C13H20N6S/c1-8(2)15-10-16-11(18-12(17-10)20-4)19-13(3,7-14)9-5-6-9/h8-9H,5-6H2,1-4H3,(H2,15,16,17,18,19)
InChIKeyJGNGKJPBAFELCF-UHFFFAOYSA-N
MW292.41 g/mol
LogP2.52
Rot. Bonds6

About 2-cyclopropyl-2-[[4-methylsulfanyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]propanenitrile

2-cyclopropyl-2-[[4-methylsulfanyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]propanenitrile (PubChem CID 154198786) has the molecular formula C13H20N6S and a molecular weight of 292.41 g/mol. Its IUPAC name is 2-cyclopropyl-2-[[4-methylsulfanyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]propanenitrile.

Molecular Properties

Compound Name2-cyclopropyl-2-[[4-methylsulfanyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]propanenitrile
PubChem CID154198786
Molecular FormulaC13H20N6S
Molecular Weight292.41 g/mol
Exact Mass292.15
IUPAC Name2-cyclopropyl-2-[[4-methylsulfanyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]propanenitrile
SMILESCSc1nc(NC(C)C)nc(NC(C)(C#N)C2CC2)n1
InChIInChI=1S/C13H20N6S/c1-8(2)15-10-16-11(18-12(17-10)20-4)19-13(3,7-14)9-5-6-9/h8-9H,5-6H2,1-4H3,(H2,15,16,17,18,19)
InChIKeyJGNGKJPBAFELCF-UHFFFAOYSA-N
XLogP2.52
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[[4-methylsulfanyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]propanenitrile?
The IUPAC name of 2-cyclopropyl-2-[[4-methylsulfanyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]propanenitrile (CID 154198786) is 2-cyclopropyl-2-[[4-methylsulfanyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]propanenitrile.
What is the SMILES notation for 2-cyclopropyl-2-[[4-methylsulfanyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]propanenitrile?
The canonical SMILES for 2-cyclopropyl-2-[[4-methylsulfanyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]propanenitrile is CSc1nc(NC(C)C)nc(NC(C)(C#N)C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-2-[[4-methylsulfanyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]propanenitrile?
The InChIKey is JGNGKJPBAFELCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6S/c1-8(2)15-10-16-11(18-12(17-10)20-4)19-13(3,7-14)9-5-6-9/h8-9H,5-6H2,1-4H3,(H2,15,16,17,18,19).
What are the key properties of 2-cyclopropyl-2-[[4-methylsulfanyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]propanenitrile?
2-cyclopropyl-2-[[4-methylsulfanyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]propanenitrile has a molecular weight of 292.41 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[[4-methylsulfanyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]propanenitrile is sourced from PubChem (CID 154198786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).