2-[[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]-cyanoamino]-N,N-diethylpropanamide

C17H30N8O — CID 2909387

IUPAC2-[[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]-cyanoamino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)N(C#N)c1nc(NC(C)C)nc(NC(C)C)n1
InChIInChI=1S/C17H30N8O/c1-8-24(9-2)14(26)13(7)25(10-18)17-22-15(19-11(3)4)21-16(23-17)20-12(5)6/h11-13H,8-9H2,1-7H3,(H2,19,20,21,22,23)
InChIKeySDTZSAWENVEQNC-UHFFFAOYSA-N
MW362.48 g/mol
LogP2.06
Rot. Bonds9

About 2-[[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]-cyanoamino]-N,N-diethylpropanamide

2-[[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]-cyanoamino]-N,N-diethylpropanamide (PubChem CID 2909387) has the molecular formula C17H30N8O and a molecular weight of 362.48 g/mol. Its IUPAC name is 2-[[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]-cyanoamino]-N,N-diethylpropanamide.

Molecular Properties

Compound Name2-[[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]-cyanoamino]-N,N-diethylpropanamide
PubChem CID2909387
Molecular FormulaC17H30N8O
Molecular Weight362.48 g/mol
Exact Mass362.25
IUPAC Name2-[[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]-cyanoamino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)N(C#N)c1nc(NC(C)C)nc(NC(C)C)n1
InChIInChI=1S/C17H30N8O/c1-8-24(9-2)14(26)13(7)25(10-18)17-22-15(19-11(3)4)21-16(23-17)20-12(5)6/h11-13H,8-9H2,1-7H3,(H2,19,20,21,22,23)
InChIKeySDTZSAWENVEQNC-UHFFFAOYSA-N
XLogP2.06
TPSA110.07 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-[[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]-cyanoamino]-N,N-diethylpropanamide with MolForge

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Related Compounds

2-{cyano[4-(ethylamino)-6-(isopropylamino)-1,3,5-triazin-2-yl]amino}-N,N-diethylpropanamide
CID 4518737
2-(N-(4-(ethylamino)-6-(isopropylamino)-1,3,5-triazin-2-yl)cyanamido)-N,N-dimethylpropanamide
CID 658316
2-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-cyanoamino]-N,N-diethylpropanamide
CID 3130267
2-(N-(4,6-bis(dimethylamino)-1,3,5-triazin-2-yl)cyanamido)-N,N-dimethylpropanamide
CID 657493
2-[[4,6-bis(isopropylamino)-1,3,5-triazin-2-yl](cyano)amino]-N,N-diethylacetamide
CID 658241
2-[[4-(2-Acetamidoethylamino)-6-[bis(3-aminopropyl)amino]-1,3,5-triazin-2-yl]amino]acetamide
CID 168282824
N~2~-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-N~2~-cyano-N~1~-methylglycinamide
CID 972830
2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-cyanoamino]-N,N-diethylpropanamide
CID 3094812
(2S)-2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-cyanoamino]-N,N-dimethylpropanamide
CID 909697
2-(N-(4,6-bis(isopropylamino)-1,3,5-triazin-2-yl)cyanamido)-N,N-dimethylpropanamide
CID 3094811
1-[4,6-Bis(dimethylamino)-1,3,5-triazin-2-yl]-5-methyl-2,4-imidazolidinedione
CID 13929265
2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-N-methylpropanamide
CID 80802981

Frequently Asked Questions

What is the IUPAC name of 2-[[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]-cyanoamino]-N,N-diethylpropanamide?
The IUPAC name of 2-[[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]-cyanoamino]-N,N-diethylpropanamide (CID 2909387) is 2-[[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]-cyanoamino]-N,N-diethylpropanamide.
What is the SMILES notation for 2-[[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]-cyanoamino]-N,N-diethylpropanamide?
The canonical SMILES for 2-[[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]-cyanoamino]-N,N-diethylpropanamide is CCN(CC)C(=O)C(C)N(C#N)c1nc(NC(C)C)nc(NC(C)C)n1.
What is the InChIKey of 2-[[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]-cyanoamino]-N,N-diethylpropanamide?
The InChIKey is SDTZSAWENVEQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N8O/c1-8-24(9-2)14(26)13(7)25(10-18)17-22-15(19-11(3)4)21-16(23-17)20-12(5)6/h11-13H,8-9H2,1-7H3,(H2,19,20,21,22,23).
What are the key properties of 2-[[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]-cyanoamino]-N,N-diethylpropanamide?
2-[[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]-cyanoamino]-N,N-diethylpropanamide has a molecular weight of 362.48 g/mol, XLogP of 2.06, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]-cyanoamino]-N,N-diethylpropanamide is sourced from PubChem (CID 2909387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).