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

C11H16N6S — CID 154322119

IUPAC2-cyclopropyl-2-[[4-(methylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]propanenitrile
SMILESCNc1nc(NC(C)(C#N)C2CC2)nc(SC)n1
InChIInChI=1S/C11H16N6S/c1-11(6-12,7-4-5-7)17-9-14-8(13-2)15-10(16-9)18-3/h7H,4-5H2,1-3H3,(H2,13,14,15,16,17)
InChIKeyRYBQZHCTEGDVEZ-UHFFFAOYSA-N
MW264.36 g/mol
LogP1.74
Rot. Bonds5

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

2-cyclopropyl-2-[[4-(methylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]propanenitrile (PubChem CID 154322119) has the molecular formula C11H16N6S and a molecular weight of 264.36 g/mol. Its IUPAC name is 2-cyclopropyl-2-[[4-(methylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]propanenitrile.

Molecular Properties

Compound Name2-cyclopropyl-2-[[4-(methylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]propanenitrile
PubChem CID154322119
Molecular FormulaC11H16N6S
Molecular Weight264.36 g/mol
Exact Mass264.12
IUPAC Name2-cyclopropyl-2-[[4-(methylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]propanenitrile
SMILESCNc1nc(NC(C)(C#N)C2CC2)nc(SC)n1
InChIInChI=1S/C11H16N6S/c1-11(6-12,7-4-5-7)17-9-14-8(13-2)15-10(16-9)18-3/h7H,4-5H2,1-3H3,(H2,13,14,15,16,17)
InChIKeyRYBQZHCTEGDVEZ-UHFFFAOYSA-N
XLogP1.74
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-cyclopropyl-2-[[4-(methylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]propanenitrile with MolForge

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Launch Full Analysis

Related Compounds

1-[[4-(Methylamino)-6-(methylthio)-1,3,5-triazin-2-yl]amino]cyclohexanecarbonitrile
CID 71727506
4-N-cyclopropyl-2-N-(4-methylpentan-2-yl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
CID 56986750
2-[[4-(Tert-butylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]butanenitrile
CID 67180052
4-[[4-(Tert-butylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]butanenitrile
CID 142681371
2-[[4-(Ethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]-2-methylbutanedinitrile
CID 153527994
2-Cyclopropyl-2-[[4-methylsulfanyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]propanenitrile
CID 154198786
2-N-(4-methylpentan-2-yl)-6-methylsulfanyl-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 154301470
2-[[4-Chloro-6-(2-methylpropylamino)-1,3,5-triazin-2-yl]amino]-2-cyclopropylpropanenitrile
CID 157877340
2-N-cyclopropyl-4-N-(3-methylbutyl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
CID 163588640
2-[[4-Chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-cyclopropylpropanenitrile
CID 163906348
2-[[4-(Cyclopropylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]-2-methylpropanenitrile
CID 177733081
2-Cyclopropyl-2-[[4-(ethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]pentanenitrile
CID 177741499

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[[4-(methylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]propanenitrile?
The IUPAC name of 2-cyclopropyl-2-[[4-(methylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]propanenitrile (CID 154322119) is 2-cyclopropyl-2-[[4-(methylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]propanenitrile.
What is the SMILES notation for 2-cyclopropyl-2-[[4-(methylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]propanenitrile?
The canonical SMILES for 2-cyclopropyl-2-[[4-(methylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]propanenitrile is CNc1nc(NC(C)(C#N)C2CC2)nc(SC)n1.
What is the InChIKey of 2-cyclopropyl-2-[[4-(methylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]propanenitrile?
The InChIKey is RYBQZHCTEGDVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6S/c1-11(6-12,7-4-5-7)17-9-14-8(13-2)15-10(16-9)18-3/h7H,4-5H2,1-3H3,(H2,13,14,15,16,17).
What are the key properties of 2-cyclopropyl-2-[[4-(methylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]propanenitrile?
2-cyclopropyl-2-[[4-(methylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]propanenitrile has a molecular weight of 264.36 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[[4-(methylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]propanenitrile is sourced from PubChem (CID 154322119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).