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

C16H26N10O2 — CID 54323972

IUPAC2-[2-[[4-amino-6-[3-(4,6-diamino-1,3,5-triazin-2-yl)cyclohexyl]-1,3,5-triazin-2-yl]amino]ethoxy]ethanol
SMILESNc1nc(N)nc(C2CCCC(c3nc(N)nc(NCCOCCO)n3)C2)n1
InChIInChI=1S/C16H26N10O2/c17-13-21-11(22-14(18)25-13)9-2-1-3-10(8-9)12-23-15(19)26-16(24-12)20-4-6-28-7-5-27/h9-10,27H,1-8H2,(H4,17,18,21,22,25)(H3,19,20,23,24,26)
InChIKeySTPPNAGGKOUOEY-UHFFFAOYSA-N
MW390.45 g/mol
LogP-0.33
Rot. Bonds8

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

2-[2-[[4-amino-6-[3-(4,6-diamino-1,3,5-triazin-2-yl)cyclohexyl]-1,3,5-triazin-2-yl]amino]ethoxy]ethanol (PubChem CID 54323972) has the molecular formula C16H26N10O2 and a molecular weight of 390.45 g/mol. Its IUPAC name is 2-[2-[[4-amino-6-[3-(4,6-diamino-1,3,5-triazin-2-yl)cyclohexyl]-1,3,5-triazin-2-yl]amino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[[4-amino-6-[3-(4,6-diamino-1,3,5-triazin-2-yl)cyclohexyl]-1,3,5-triazin-2-yl]amino]ethoxy]ethanol
PubChem CID54323972
Molecular FormulaC16H26N10O2
Molecular Weight390.45 g/mol
Exact Mass390.22
IUPAC Name2-[2-[[4-amino-6-[3-(4,6-diamino-1,3,5-triazin-2-yl)cyclohexyl]-1,3,5-triazin-2-yl]amino]ethoxy]ethanol
SMILESNc1nc(N)nc(C2CCCC(c3nc(N)nc(NCCOCCO)n3)C2)n1
InChIInChI=1S/C16H26N10O2/c17-13-21-11(22-14(18)25-13)9-2-1-3-10(8-9)12-23-15(19)26-16(24-12)20-4-6-28-7-5-27/h9-10,27H,1-8H2,(H4,17,18,21,22,25)(H3,19,20,23,24,26)
InChIKeySTPPNAGGKOUOEY-UHFFFAOYSA-N
XLogP-0.33
TPSA196.89 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.45
LogP ≤ 5-0.33
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-[3-(4,6-diamino-1,3,5-triazin-2-yl)cyclohexyl]-1,3,5-triazin-2-yl]amino]ethoxy]ethanol with MolForge

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Related Compounds

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CID 53763574
CID 53820419
CID 53820419
CID 53825557
CID 53825557
CID 53879374
CID 53879374
CID 53895010
CID 53895010
CID 53977530
CID 53977530
CID 54002810
CID 54002810
CID 54122459
CID 54122459

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4-amino-6-[3-(4,6-diamino-1,3,5-triazin-2-yl)cyclohexyl]-1,3,5-triazin-2-yl]amino]ethoxy]ethanol?
The IUPAC name of 2-[2-[[4-amino-6-[3-(4,6-diamino-1,3,5-triazin-2-yl)cyclohexyl]-1,3,5-triazin-2-yl]amino]ethoxy]ethanol (CID 54323972) is 2-[2-[[4-amino-6-[3-(4,6-diamino-1,3,5-triazin-2-yl)cyclohexyl]-1,3,5-triazin-2-yl]amino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[[4-amino-6-[3-(4,6-diamino-1,3,5-triazin-2-yl)cyclohexyl]-1,3,5-triazin-2-yl]amino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[[4-amino-6-[3-(4,6-diamino-1,3,5-triazin-2-yl)cyclohexyl]-1,3,5-triazin-2-yl]amino]ethoxy]ethanol is Nc1nc(N)nc(C2CCCC(c3nc(N)nc(NCCOCCO)n3)C2)n1.
What is the InChIKey of 2-[2-[[4-amino-6-[3-(4,6-diamino-1,3,5-triazin-2-yl)cyclohexyl]-1,3,5-triazin-2-yl]amino]ethoxy]ethanol?
The InChIKey is STPPNAGGKOUOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N10O2/c17-13-21-11(22-14(18)25-13)9-2-1-3-10(8-9)12-23-15(19)26-16(24-12)20-4-6-28-7-5-27/h9-10,27H,1-8H2,(H4,17,18,21,22,25)(H3,19,20,23,24,26).
What are the key properties of 2-[2-[[4-amino-6-[3-(4,6-diamino-1,3,5-triazin-2-yl)cyclohexyl]-1,3,5-triazin-2-yl]amino]ethoxy]ethanol?
2-[2-[[4-amino-6-[3-(4,6-diamino-1,3,5-triazin-2-yl)cyclohexyl]-1,3,5-triazin-2-yl]amino]ethoxy]ethanol has a molecular weight of 390.45 g/mol, XLogP of -0.33, 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-[3-(4,6-diamino-1,3,5-triazin-2-yl)cyclohexyl]-1,3,5-triazin-2-yl]amino]ethoxy]ethanol is sourced from PubChem (CID 54323972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).