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

C13H22N6O3 — CID 2033517

IUPACN-[2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]ethyl]acetamide
SMILESCC(=O)NCCOc1nc(N(C)C)nc(N2CCOCC2)n1
InChIInChI=1S/C13H22N6O3/c1-10(20)14-4-7-22-13-16-11(18(2)3)15-12(17-13)19-5-8-21-9-6-19/h4-9H2,1-3H3,(H,14,20)
InChIKeyOATUFXLROJAQTM-UHFFFAOYSA-N
MW310.36 g/mol
LogP-0.71
Rot. Bonds6

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

N-[2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]ethyl]acetamide (PubChem CID 2033517) has the molecular formula C13H22N6O3 and a molecular weight of 310.36 g/mol. Its IUPAC name is N-[2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]ethyl]acetamide
PubChem CID2033517
Molecular FormulaC13H22N6O3
Molecular Weight310.36 g/mol
Exact Mass310.18
IUPAC NameN-[2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]ethyl]acetamide
SMILESCC(=O)NCCOc1nc(N(C)C)nc(N2CCOCC2)n1
InChIInChI=1S/C13H22N6O3/c1-10(20)14-4-7-22-13-16-11(18(2)3)15-12(17-13)19-5-8-21-9-6-19/h4-9H2,1-3H3,(H,14,20)
InChIKeyOATUFXLROJAQTM-UHFFFAOYSA-N
XLogP-0.71
TPSA92.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]ethyl]acetamide?
The IUPAC name of N-[2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]ethyl]acetamide (CID 2033517) is N-[2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]ethyl]acetamide.
What is the SMILES notation for N-[2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]ethyl]acetamide?
The canonical SMILES for N-[2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]ethyl]acetamide is CC(=O)NCCOc1nc(N(C)C)nc(N2CCOCC2)n1.
What is the InChIKey of N-[2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]ethyl]acetamide?
The InChIKey is OATUFXLROJAQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6O3/c1-10(20)14-4-7-22-13-16-11(18(2)3)15-12(17-13)19-5-8-21-9-6-19/h4-9H2,1-3H3,(H,14,20).
What are the key properties of N-[2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]ethyl]acetamide?
N-[2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]ethyl]acetamide has a molecular weight of 310.36 g/mol, XLogP of -0.71, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]ethyl]acetamide is sourced from PubChem (CID 2033517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).