2-[cyano-[4-(dimethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]-N,N-dimethylacetamide

C11H17N7OS — CID 3671491

IUPAC2-[cyano-[4-(dimethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]-N,N-dimethylacetamide
SMILESCSc1nc(N(C)C)nc(N(C#N)CC(=O)N(C)C)n1
InChIInChI=1S/C11H17N7OS/c1-16(2)8(19)6-18(7-12)10-13-9(17(3)4)14-11(15-10)20-5/h6H2,1-5H3
InChIKeyZREGVIJIVZUDRL-UHFFFAOYSA-N
MW295.37 g/mol
LogP0.04
Rot. Bonds5

About 2-[cyano-[4-(dimethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]-N,N-dimethylacetamide

2-[cyano-[4-(dimethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]-N,N-dimethylacetamide (PubChem CID 3671491) has the molecular formula C11H17N7OS and a molecular weight of 295.37 g/mol. Its IUPAC name is 2-[cyano-[4-(dimethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[cyano-[4-(dimethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]-N,N-dimethylacetamide
PubChem CID3671491
Molecular FormulaC11H17N7OS
Molecular Weight295.37 g/mol
Exact Mass295.12
IUPAC Name2-[cyano-[4-(dimethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]-N,N-dimethylacetamide
SMILESCSc1nc(N(C)C)nc(N(C#N)CC(=O)N(C)C)n1
InChIInChI=1S/C11H17N7OS/c1-16(2)8(19)6-18(7-12)10-13-9(17(3)4)14-11(15-10)20-5/h6H2,1-5H3
InChIKeyZREGVIJIVZUDRL-UHFFFAOYSA-N
XLogP0.04
TPSA89.25 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[cyano-[4-(dimethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[cyano-[4-(dimethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]-N,N-dimethylacetamide (CID 3671491) is 2-[cyano-[4-(dimethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[cyano-[4-(dimethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[cyano-[4-(dimethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]-N,N-dimethylacetamide is CSc1nc(N(C)C)nc(N(C#N)CC(=O)N(C)C)n1.
What is the InChIKey of 2-[cyano-[4-(dimethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]-N,N-dimethylacetamide?
The InChIKey is ZREGVIJIVZUDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N7OS/c1-16(2)8(19)6-18(7-12)10-13-9(17(3)4)14-11(15-10)20-5/h6H2,1-5H3.
What are the key properties of 2-[cyano-[4-(dimethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]-N,N-dimethylacetamide?
2-[cyano-[4-(dimethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]-N,N-dimethylacetamide has a molecular weight of 295.37 g/mol, XLogP of 0.04, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyano-[4-(dimethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 3671491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).