2-[cyano-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]acetamide

C14H20N8O3 — CID 714960

IUPAC2-[cyano-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]acetamide
SMILESN#CN(CC(N)=O)c1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C14H20N8O3/c15-10-22(9-11(16)23)14-18-12(20-1-5-24-6-2-20)17-13(19-14)21-3-7-25-8-4-21/h1-9H2,(H2,16,23)
InChIKeyNCFHTILRWWRGCV-UHFFFAOYSA-N
MW348.37 g/mol
LogP-1.68
Rot. Bonds5

About 2-[cyano-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]acetamide

2-[cyano-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]acetamide (PubChem CID 714960) has the molecular formula C14H20N8O3 and a molecular weight of 348.37 g/mol. Its IUPAC name is 2-[cyano-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]acetamide.

Molecular Properties

Compound Name2-[cyano-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]acetamide
PubChem CID714960
Molecular FormulaC14H20N8O3
Molecular Weight348.37 g/mol
Exact Mass348.17
IUPAC Name2-[cyano-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]acetamide
SMILESN#CN(CC(N)=O)c1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C14H20N8O3/c15-10-22(9-11(16)23)14-18-12(20-1-5-24-6-2-20)17-13(19-14)21-3-7-25-8-4-21/h1-9H2,(H2,16,23)
InChIKeyNCFHTILRWWRGCV-UHFFFAOYSA-N
XLogP-1.68
TPSA133.73 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 5-1.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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-[cyano-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]acetamide?
The IUPAC name of 2-[cyano-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]acetamide (CID 714960) is 2-[cyano-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]acetamide.
What is the SMILES notation for 2-[cyano-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]acetamide?
The canonical SMILES for 2-[cyano-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]acetamide is N#CN(CC(N)=O)c1nc(N2CCOCC2)nc(N2CCOCC2)n1.
What is the InChIKey of 2-[cyano-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]acetamide?
The InChIKey is NCFHTILRWWRGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N8O3/c15-10-22(9-11(16)23)14-18-12(20-1-5-24-6-2-20)17-13(19-14)21-3-7-25-8-4-21/h1-9H2,(H2,16,23).
What are the key properties of 2-[cyano-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]acetamide?
2-[cyano-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]acetamide has a molecular weight of 348.37 g/mol, XLogP of -1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyano-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]acetamide is sourced from PubChem (CID 714960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).