2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]-N-tert-butylacetamide

C13H24N6O2 — CID 977133

IUPAC2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]-N-tert-butylacetamide
SMILESCN(C)c1nc(OCC(=O)NC(C)(C)C)nc(N(C)C)n1
InChIInChI=1S/C13H24N6O2/c1-13(2,3)17-9(20)8-21-12-15-10(18(4)5)14-11(16-12)19(6)7/h8H2,1-7H3,(H,17,20)
InChIKeyDYQNLHVUJBWTRC-UHFFFAOYSA-N
MW296.38 g/mol
LogP0.30
Rot. Bonds5

About 2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]-N-tert-butylacetamide

2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]-N-tert-butylacetamide (PubChem CID 977133) has the molecular formula C13H24N6O2 and a molecular weight of 296.38 g/mol. Its IUPAC name is 2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]-N-tert-butylacetamide
PubChem CID977133
Molecular FormulaC13H24N6O2
Molecular Weight296.38 g/mol
Exact Mass296.20
IUPAC Name2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]-N-tert-butylacetamide
SMILESCN(C)c1nc(OCC(=O)NC(C)(C)C)nc(N(C)C)n1
InChIInChI=1S/C13H24N6O2/c1-13(2,3)17-9(20)8-21-12-15-10(18(4)5)14-11(16-12)19(6)7/h8H2,1-7H3,(H,17,20)
InChIKeyDYQNLHVUJBWTRC-UHFFFAOYSA-N
XLogP0.30
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]-N-tert-butylacetamide?
The IUPAC name of 2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]-N-tert-butylacetamide (CID 977133) is 2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]-N-tert-butylacetamide.
What is the SMILES notation for 2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]-N-tert-butylacetamide?
The canonical SMILES for 2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]-N-tert-butylacetamide is CN(C)c1nc(OCC(=O)NC(C)(C)C)nc(N(C)C)n1.
What is the InChIKey of 2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]-N-tert-butylacetamide?
The InChIKey is DYQNLHVUJBWTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6O2/c1-13(2,3)17-9(20)8-21-12-15-10(18(4)5)14-11(16-12)19(6)7/h8H2,1-7H3,(H,17,20).
What are the key properties of 2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]-N-tert-butylacetamide?
2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]-N-tert-butylacetamide has a molecular weight of 296.38 g/mol, XLogP of 0.30, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]-N-tert-butylacetamide is sourced from PubChem (CID 977133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).