N-[2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]acetamide

C11H20N6O2 — CID 3156767

IUPACN-[2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]acetamide
SMILESCCNc1nc(OCCNC(C)=O)nc(N(C)C)n1
InChIInChI=1S/C11H20N6O2/c1-5-12-9-14-10(17(3)4)16-11(15-9)19-7-6-13-8(2)18/h5-7H2,1-4H3,(H,13,18)(H,12,14,15,16)
InChIKeyIXCIGHVVTKERBV-UHFFFAOYSA-N
MW268.32 g/mol
LogP-0.12
Rot. Bonds7

About N-[2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]acetamide

N-[2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]acetamide (PubChem CID 3156767) has the molecular formula C11H20N6O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is N-[2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]acetamide
PubChem CID3156767
Molecular FormulaC11H20N6O2
Molecular Weight268.32 g/mol
Exact Mass268.16
IUPAC NameN-[2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]acetamide
SMILESCCNc1nc(OCCNC(C)=O)nc(N(C)C)n1
InChIInChI=1S/C11H20N6O2/c1-5-12-9-14-10(17(3)4)16-11(15-9)19-7-6-13-8(2)18/h5-7H2,1-4H3,(H,13,18)(H,12,14,15,16)
InChIKeyIXCIGHVVTKERBV-UHFFFAOYSA-N
XLogP-0.12
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]acetamide?
The IUPAC name of N-[2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]acetamide (CID 3156767) is N-[2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]acetamide.
What is the SMILES notation for N-[2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]acetamide?
The canonical SMILES for N-[2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]acetamide is CCNc1nc(OCCNC(C)=O)nc(N(C)C)n1.
What is the InChIKey of N-[2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]acetamide?
The InChIKey is IXCIGHVVTKERBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6O2/c1-5-12-9-14-10(17(3)4)16-11(15-9)19-7-6-13-8(2)18/h5-7H2,1-4H3,(H,13,18)(H,12,14,15,16).
What are the key properties of N-[2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]acetamide?
N-[2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]acetamide has a molecular weight of 268.32 g/mol, XLogP of -0.12, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]acetamide is sourced from PubChem (CID 3156767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).