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

C15H22N10O — CID 54001103

IUPAC2-[[4-amino-6-[5-(4,6-diamino-1,3,5-triazin-2-yl)-2-bicyclo[2.2.1]heptanyl]-1,3,5-triazin-2-yl]amino]ethanol
SMILESNc1nc(N)nc(C2CC3CC2CC3c2nc(N)nc(NCCO)n2)n1
InChIInChI=1S/C15H22N10O/c16-12-20-10(21-13(17)24-12)8-4-7-3-6(8)5-9(7)11-22-14(18)25-15(23-11)19-1-2-26/h6-9,26H,1-5H2,(H4,16,17,20,21,24)(H3,18,19,22,23,25)
InChIKeyKLRCISONGUFQFT-UHFFFAOYSA-N
MW358.41 g/mol
LogP-0.50
Rot. Bonds5

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

2-[[4-amino-6-[5-(4,6-diamino-1,3,5-triazin-2-yl)-2-bicyclo[2.2.1]heptanyl]-1,3,5-triazin-2-yl]amino]ethanol (PubChem CID 54001103) has the molecular formula C15H22N10O and a molecular weight of 358.41 g/mol. Its IUPAC name is 2-[[4-amino-6-[5-(4,6-diamino-1,3,5-triazin-2-yl)-2-bicyclo[2.2.1]heptanyl]-1,3,5-triazin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-amino-6-[5-(4,6-diamino-1,3,5-triazin-2-yl)-2-bicyclo[2.2.1]heptanyl]-1,3,5-triazin-2-yl]amino]ethanol
PubChem CID54001103
Molecular FormulaC15H22N10O
Molecular Weight358.41 g/mol
Exact Mass358.20
IUPAC Name2-[[4-amino-6-[5-(4,6-diamino-1,3,5-triazin-2-yl)-2-bicyclo[2.2.1]heptanyl]-1,3,5-triazin-2-yl]amino]ethanol
SMILESNc1nc(N)nc(C2CC3CC2CC3c2nc(N)nc(NCCO)n2)n1
InChIInChI=1S/C15H22N10O/c16-12-20-10(21-13(17)24-12)8-4-7-3-6(8)5-9(7)11-22-14(18)25-15(23-11)19-1-2-26/h6-9,26H,1-5H2,(H4,16,17,20,21,24)(H3,18,19,22,23,25)
InChIKeyKLRCISONGUFQFT-UHFFFAOYSA-N
XLogP-0.50
TPSA187.66 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.41
LogP ≤ 5-0.50
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-amino-6-[5-(4,6-diamino-1,3,5-triazin-2-yl)-2-bicyclo[2.2.1]heptanyl]-1,3,5-triazin-2-yl]amino]ethanol?
The IUPAC name of 2-[[4-amino-6-[5-(4,6-diamino-1,3,5-triazin-2-yl)-2-bicyclo[2.2.1]heptanyl]-1,3,5-triazin-2-yl]amino]ethanol (CID 54001103) is 2-[[4-amino-6-[5-(4,6-diamino-1,3,5-triazin-2-yl)-2-bicyclo[2.2.1]heptanyl]-1,3,5-triazin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[4-amino-6-[5-(4,6-diamino-1,3,5-triazin-2-yl)-2-bicyclo[2.2.1]heptanyl]-1,3,5-triazin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[4-amino-6-[5-(4,6-diamino-1,3,5-triazin-2-yl)-2-bicyclo[2.2.1]heptanyl]-1,3,5-triazin-2-yl]amino]ethanol is Nc1nc(N)nc(C2CC3CC2CC3c2nc(N)nc(NCCO)n2)n1.
What is the InChIKey of 2-[[4-amino-6-[5-(4,6-diamino-1,3,5-triazin-2-yl)-2-bicyclo[2.2.1]heptanyl]-1,3,5-triazin-2-yl]amino]ethanol?
The InChIKey is KLRCISONGUFQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N10O/c16-12-20-10(21-13(17)24-12)8-4-7-3-6(8)5-9(7)11-22-14(18)25-15(23-11)19-1-2-26/h6-9,26H,1-5H2,(H4,16,17,20,21,24)(H3,18,19,22,23,25).
What are the key properties of 2-[[4-amino-6-[5-(4,6-diamino-1,3,5-triazin-2-yl)-2-bicyclo[2.2.1]heptanyl]-1,3,5-triazin-2-yl]amino]ethanol?
2-[[4-amino-6-[5-(4,6-diamino-1,3,5-triazin-2-yl)-2-bicyclo[2.2.1]heptanyl]-1,3,5-triazin-2-yl]amino]ethanol has a molecular weight of 358.41 g/mol, XLogP of -0.50, 5 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-amino-6-[5-(4,6-diamino-1,3,5-triazin-2-yl)-2-bicyclo[2.2.1]heptanyl]-1,3,5-triazin-2-yl]amino]ethanol is sourced from PubChem (CID 54001103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).