2-[2-[[4-amino-6-[6-(4,6-diamino-1,3,5-triazin-2-yl)-2-bicyclo[2.2.1]heptanyl]-1,3,5-triazin-2-yl]amino]ethoxy]ethanol

C17H26N10O2 — CID 54122459

IUPAC2-[2-[[4-amino-6-[6-(4,6-diamino-1,3,5-triazin-2-yl)-2-bicyclo[2.2.1]heptanyl]-1,3,5-triazin-2-yl]amino]ethoxy]ethanol
SMILESNc1nc(N)nc(C2CC3CC(c4nc(N)nc(NCCOCCO)n4)C2C3)n1
InChIInChI=1S/C17H26N10O2/c18-14-22-12(23-15(19)26-14)10-6-8-5-9(10)11(7-8)13-24-16(20)27-17(25-13)21-1-3-29-4-2-28/h8-11,28H,1-7H2,(H4,18,19,22,23,26)(H3,20,21,24,25,27)
InChIKeyNORQJJROYJPVSB-UHFFFAOYSA-N
MW402.46 g/mol
LogP-0.48
Rot. Bonds8

About 2-[2-[[4-amino-6-[6-(4,6-diamino-1,3,5-triazin-2-yl)-2-bicyclo[2.2.1]heptanyl]-1,3,5-triazin-2-yl]amino]ethoxy]ethanol

2-[2-[[4-amino-6-[6-(4,6-diamino-1,3,5-triazin-2-yl)-2-bicyclo[2.2.1]heptanyl]-1,3,5-triazin-2-yl]amino]ethoxy]ethanol (PubChem CID 54122459) has the molecular formula C17H26N10O2 and a molecular weight of 402.46 g/mol. Its IUPAC name is 2-[2-[[4-amino-6-[6-(4,6-diamino-1,3,5-triazin-2-yl)-2-bicyclo[2.2.1]heptanyl]-1,3,5-triazin-2-yl]amino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[[4-amino-6-[6-(4,6-diamino-1,3,5-triazin-2-yl)-2-bicyclo[2.2.1]heptanyl]-1,3,5-triazin-2-yl]amino]ethoxy]ethanol
PubChem CID54122459
Molecular FormulaC17H26N10O2
Molecular Weight402.46 g/mol
Exact Mass402.22
IUPAC Name2-[2-[[4-amino-6-[6-(4,6-diamino-1,3,5-triazin-2-yl)-2-bicyclo[2.2.1]heptanyl]-1,3,5-triazin-2-yl]amino]ethoxy]ethanol
SMILESNc1nc(N)nc(C2CC3CC(c4nc(N)nc(NCCOCCO)n4)C2C3)n1
InChIInChI=1S/C17H26N10O2/c18-14-22-12(23-15(19)26-14)10-6-8-5-9(10)11(7-8)13-24-16(20)27-17(25-13)21-1-3-29-4-2-28/h8-11,28H,1-7H2,(H4,18,19,22,23,26)(H3,20,21,24,25,27)
InChIKeyNORQJJROYJPVSB-UHFFFAOYSA-N
XLogP-0.48
TPSA196.89 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.46
LogP ≤ 5-0.48
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 2-[2-[[4-amino-6-[6-(4,6-diamino-1,3,5-triazin-2-yl)-2-bicyclo[2.2.1]heptanyl]-1,3,5-triazin-2-yl]amino]ethoxy]ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4-amino-6-[6-(4,6-diamino-1,3,5-triazin-2-yl)-2-bicyclo[2.2.1]heptanyl]-1,3,5-triazin-2-yl]amino]ethoxy]ethanol?
The IUPAC name of 2-[2-[[4-amino-6-[6-(4,6-diamino-1,3,5-triazin-2-yl)-2-bicyclo[2.2.1]heptanyl]-1,3,5-triazin-2-yl]amino]ethoxy]ethanol (CID 54122459) is 2-[2-[[4-amino-6-[6-(4,6-diamino-1,3,5-triazin-2-yl)-2-bicyclo[2.2.1]heptanyl]-1,3,5-triazin-2-yl]amino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[[4-amino-6-[6-(4,6-diamino-1,3,5-triazin-2-yl)-2-bicyclo[2.2.1]heptanyl]-1,3,5-triazin-2-yl]amino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[[4-amino-6-[6-(4,6-diamino-1,3,5-triazin-2-yl)-2-bicyclo[2.2.1]heptanyl]-1,3,5-triazin-2-yl]amino]ethoxy]ethanol is Nc1nc(N)nc(C2CC3CC(c4nc(N)nc(NCCOCCO)n4)C2C3)n1.
What is the InChIKey of 2-[2-[[4-amino-6-[6-(4,6-diamino-1,3,5-triazin-2-yl)-2-bicyclo[2.2.1]heptanyl]-1,3,5-triazin-2-yl]amino]ethoxy]ethanol?
The InChIKey is NORQJJROYJPVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N10O2/c18-14-22-12(23-15(19)26-14)10-6-8-5-9(10)11(7-8)13-24-16(20)27-17(25-13)21-1-3-29-4-2-28/h8-11,28H,1-7H2,(H4,18,19,22,23,26)(H3,20,21,24,25,27).
What are the key properties of 2-[2-[[4-amino-6-[6-(4,6-diamino-1,3,5-triazin-2-yl)-2-bicyclo[2.2.1]heptanyl]-1,3,5-triazin-2-yl]amino]ethoxy]ethanol?
2-[2-[[4-amino-6-[6-(4,6-diamino-1,3,5-triazin-2-yl)-2-bicyclo[2.2.1]heptanyl]-1,3,5-triazin-2-yl]amino]ethoxy]ethanol has a molecular weight of 402.46 g/mol, XLogP of -0.48, 8 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[4-amino-6-[6-(4,6-diamino-1,3,5-triazin-2-yl)-2-bicyclo[2.2.1]heptanyl]-1,3,5-triazin-2-yl]amino]ethoxy]ethanol is sourced from PubChem (CID 54122459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).