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

C14H23N7OS — CID 2959773

IUPAC2-[cyano-[4-(dimethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)N(C#N)c1nc(SC)nc(N(C)C)n1
InChIInChI=1S/C14H23N7OS/c1-7-20(8-2)11(22)10(3)21(9-15)13-16-12(19(4)5)17-14(18-13)23-6/h10H,7-8H2,1-6H3
InChIKeyAGZHAIUEUKCONM-UHFFFAOYSA-N
MW337.45 g/mol
LogP1.20
Rot. Bonds7

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

2-[cyano-[4-(dimethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]-N,N-diethylpropanamide (PubChem CID 2959773) has the molecular formula C14H23N7OS and a molecular weight of 337.45 g/mol. Its IUPAC name is 2-[cyano-[4-(dimethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]-N,N-diethylpropanamide.

Molecular Properties

Compound Name2-[cyano-[4-(dimethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]-N,N-diethylpropanamide
PubChem CID2959773
Molecular FormulaC14H23N7OS
Molecular Weight337.45 g/mol
Exact Mass337.17
IUPAC Name2-[cyano-[4-(dimethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)N(C#N)c1nc(SC)nc(N(C)C)n1
InChIInChI=1S/C14H23N7OS/c1-7-20(8-2)11(22)10(3)21(9-15)13-16-12(19(4)5)17-14(18-13)23-6/h10H,7-8H2,1-6H3
InChIKeyAGZHAIUEUKCONM-UHFFFAOYSA-N
XLogP1.20
TPSA89.25 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 51.20
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-diethylpropanamide?
The IUPAC name of 2-[cyano-[4-(dimethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]-N,N-diethylpropanamide (CID 2959773) is 2-[cyano-[4-(dimethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]-N,N-diethylpropanamide.
What is the SMILES notation for 2-[cyano-[4-(dimethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]-N,N-diethylpropanamide?
The canonical SMILES for 2-[cyano-[4-(dimethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]-N,N-diethylpropanamide is CCN(CC)C(=O)C(C)N(C#N)c1nc(SC)nc(N(C)C)n1.
What is the InChIKey of 2-[cyano-[4-(dimethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]-N,N-diethylpropanamide?
The InChIKey is AGZHAIUEUKCONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N7OS/c1-7-20(8-2)11(22)10(3)21(9-15)13-16-12(19(4)5)17-14(18-13)23-6/h10H,7-8H2,1-6H3.
What are the key properties of 2-[cyano-[4-(dimethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]-N,N-diethylpropanamide?
2-[cyano-[4-(dimethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]amino]-N,N-diethylpropanamide has a molecular weight of 337.45 g/mol, XLogP of 1.20, 7 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-diethylpropanamide is sourced from PubChem (CID 2959773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).