2-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-cyanoamino]-N,N-dimethylpropanamide

C11H16ClN7O — CID 552007

IUPAC2-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-cyanoamino]-N,N-dimethylpropanamide
SMILESCC(C(=O)N(C)C)N(C#N)c1nc(Cl)nc(N(C)C)n1
InChIInChI=1S/C11H16ClN7O/c1-7(8(20)17(2)3)19(6-13)11-15-9(12)14-10(16-11)18(4)5/h7H,1-5H3
InChIKeyZATHRJFXFHPFLZ-UHFFFAOYSA-N
MW297.75 g/mol
LogP0.36
Rot. Bonds4

About 2-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-cyanoamino]-N,N-dimethylpropanamide

2-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-cyanoamino]-N,N-dimethylpropanamide (PubChem CID 552007) has the molecular formula C11H16ClN7O and a molecular weight of 297.75 g/mol. Its IUPAC name is 2-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-cyanoamino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-cyanoamino]-N,N-dimethylpropanamide
PubChem CID552007
Molecular FormulaC11H16ClN7O
Molecular Weight297.75 g/mol
Exact Mass297.11
IUPAC Name2-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-cyanoamino]-N,N-dimethylpropanamide
SMILESCC(C(=O)N(C)C)N(C#N)c1nc(Cl)nc(N(C)C)n1
InChIInChI=1S/C11H16ClN7O/c1-7(8(20)17(2)3)19(6-13)11-15-9(12)14-10(16-11)18(4)5/h7H,1-5H3
InChIKeyZATHRJFXFHPFLZ-UHFFFAOYSA-N
XLogP0.36
TPSA89.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.75
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-cyanoamino]-N,N-dimethylpropanamide?
The IUPAC name of 2-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-cyanoamino]-N,N-dimethylpropanamide (CID 552007) is 2-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-cyanoamino]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-cyanoamino]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-cyanoamino]-N,N-dimethylpropanamide is CC(C(=O)N(C)C)N(C#N)c1nc(Cl)nc(N(C)C)n1.
What is the InChIKey of 2-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-cyanoamino]-N,N-dimethylpropanamide?
The InChIKey is ZATHRJFXFHPFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN7O/c1-7(8(20)17(2)3)19(6-13)11-15-9(12)14-10(16-11)18(4)5/h7H,1-5H3.
What are the key properties of 2-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-cyanoamino]-N,N-dimethylpropanamide?
2-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-cyanoamino]-N,N-dimethylpropanamide has a molecular weight of 297.75 g/mol, XLogP of 0.36, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-cyanoamino]-N,N-dimethylpropanamide is sourced from PubChem (CID 552007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).