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

C17H26N10O2 — CID 54281328

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

2-[[4-[6-(4,6-diamino-1,3,5-triazin-2-yl)-2-bicyclo[2.2.1]heptanyl]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethanol (PubChem CID 54281328) has the molecular formula C17H26N10O2 and a molecular weight of 402.46 g/mol. Its IUPAC name is 2-[[4-[6-(4,6-diamino-1,3,5-triazin-2-yl)-2-bicyclo[2.2.1]heptanyl]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethanol.

Molecular Properties

• Compound Name: 2-[[4-[6-(4,6-diamino-1,3,5-triazin-2-yl)-2-bicyclo[2.2.1]heptanyl]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethanol
• PubChem CID: 54281328
• Molecular Formula: C17H26N10O2
• Molecular Weight: 402.46 g/mol
• Exact Mass: 402.22
• IUPAC Name: 2-[[4-[6-(4,6-diamino-1,3,5-triazin-2-yl)-2-bicyclo[2.2.1]heptanyl]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethanol
• SMILES: Nc1nc(N)nc(C2CC3CC(c4nc(NCCO)nc(NCCO)n4)C2C3)n1
• InChI: InChI=1S/C17H26N10O2/c18-14-22-12(23-15(19)26-14)10-6-8-5-9(10)11(7-8)13-24-16(20-1-3-28)27-17(25-13)21-2-4-29/h8-11,28-29H,1-7H2,(H4,18,19,22,23,26)(H2,20,21,24,25,27)
• InChIKey: RQZHPPWOIGTHJW-UHFFFAOYSA-N
• XLogP: -0.67
• TPSA: 193.90 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	402.46
LogP ≤ 5	-0.67
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[6-(4,6-diamino-1,3,5-triazin-2-yl)-2-bicyclo[2.2.1]heptanyl]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethanol?

The IUPAC name of 2-[[4-[6-(4,6-diamino-1,3,5-triazin-2-yl)-2-bicyclo[2.2.1]heptanyl]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethanol (CID 54281328) is 2-[[4-[6-(4,6-diamino-1,3,5-triazin-2-yl)-2-bicyclo[2.2.1]heptanyl]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethanol.

What is the SMILES notation for 2-[[4-[6-(4,6-diamino-1,3,5-triazin-2-yl)-2-bicyclo[2.2.1]heptanyl]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethanol?

The canonical SMILES for 2-[[4-[6-(4,6-diamino-1,3,5-triazin-2-yl)-2-bicyclo[2.2.1]heptanyl]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethanol is Nc1nc(N)nc(C2CC3CC(c4nc(NCCO)nc(NCCO)n4)C2C3)n1.

What is the InChIKey of 2-[[4-[6-(4,6-diamino-1,3,5-triazin-2-yl)-2-bicyclo[2.2.1]heptanyl]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethanol?

The InChIKey is RQZHPPWOIGTHJW-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(20-1-3-28)27-17(25-13)21-2-4-29/h8-11,28-29H,1-7H2,(H4,18,19,22,23,26)(H2,20,21,24,25,27).

What are the key properties of 2-[[4-[6-(4,6-diamino-1,3,5-triazin-2-yl)-2-bicyclo[2.2.1]heptanyl]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethanol?

2-[[4-[6-(4,6-diamino-1,3,5-triazin-2-yl)-2-bicyclo[2.2.1]heptanyl]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethanol has a molecular weight of 402.46 g/mol, XLogP of -0.67, 8 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-[6-(4,6-diamino-1,3,5-triazin-2-yl)-2-bicyclo[2.2.1]heptanyl]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethanol is sourced from PubChem (CID 54281328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).