6-[5-[4-amino-6-(2-morpholin-4-ylethylamino)-1,3,5-triazin-2-yl]-2-bicyclo[2.2.1]heptanyl]-2-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine

C25H40N12O2 — CID 54215998

About 6-[5-[4-amino-6-(2-morpholin-4-ylethylamino)-1,3,5-triazin-2-yl]-2-bicyclo[2.2.1]heptanyl]-2-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine

6-[5-[4-amino-6-(2-morpholin-4-ylethylamino)-1,3,5-triazin-2-yl]-2-bicyclo[2.2.1]heptanyl]-2-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 54215998) has the molecular formula C25H40N12O2 and a molecular weight of 540.68 g/mol. Its IUPAC name is 6-[5-[4-amino-6-(2-morpholin-4-ylethylamino)-1,3,5-triazin-2-yl]-2-bicyclo[2.2.1]heptanyl]-2-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

• Compound Name: 6-[5-[4-amino-6-(2-morpholin-4-ylethylamino)-1,3,5-triazin-2-yl]-2-bicyclo[2.2.1]heptanyl]-2-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine
• PubChem CID: 54215998
• Molecular Formula: C25H40N12O2
• Molecular Weight: 540.68 g/mol
• Exact Mass: 540.34
• IUPAC Name: 6-[5-[4-amino-6-(2-morpholin-4-ylethylamino)-1,3,5-triazin-2-yl]-2-bicyclo[2.2.1]heptanyl]-2-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine
• SMILES: Nc1nc(NCCN2CCOCC2)nc(C2CC3CC2CC3c2nc(N)nc(NCCN3CCOCC3)n2)n1
• InChI: InChI=1S/C25H40N12O2/c26-22-30-20(32-24(34-22)28-1-3-36-5-9-38-10-6-36)18-14-17-13-16(18)15-19(17)21-31-23(27)35-25(33-21)29-2-4-37-7-11-39-12-8-37/h16-19H,1-15H2,(H3,26,28,30,32,34)(H3,27,29,31,33,35)
• InChIKey: PZFGWEBGWUYPQD-UHFFFAOYSA-N
• XLogP: 0.01
• TPSA: 178.38 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	540.68
LogP ≤ 5	0.01
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 6-[5-[4-amino-6-(2-morpholin-4-ylethylamino)-1,3,5-triazin-2-yl]-2-bicyclo[2.2.1]heptanyl]-2-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine?

The IUPAC name of 6-[5-[4-amino-6-(2-morpholin-4-ylethylamino)-1,3,5-triazin-2-yl]-2-bicyclo[2.2.1]heptanyl]-2-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine (CID 54215998) is 6-[5-[4-amino-6-(2-morpholin-4-ylethylamino)-1,3,5-triazin-2-yl]-2-bicyclo[2.2.1]heptanyl]-2-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine.

What is the SMILES notation for 6-[5-[4-amino-6-(2-morpholin-4-ylethylamino)-1,3,5-triazin-2-yl]-2-bicyclo[2.2.1]heptanyl]-2-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine?

The canonical SMILES for 6-[5-[4-amino-6-(2-morpholin-4-ylethylamino)-1,3,5-triazin-2-yl]-2-bicyclo[2.2.1]heptanyl]-2-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine is Nc1nc(NCCN2CCOCC2)nc(C2CC3CC2CC3c2nc(N)nc(NCCN3CCOCC3)n2)n1.

What is the InChIKey of 6-[5-[4-amino-6-(2-morpholin-4-ylethylamino)-1,3,5-triazin-2-yl]-2-bicyclo[2.2.1]heptanyl]-2-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine?

The InChIKey is PZFGWEBGWUYPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40N12O2/c26-22-30-20(32-24(34-22)28-1-3-36-5-9-38-10-6-36)18-14-17-13-16(18)15-19(17)21-31-23(27)35-25(33-21)29-2-4-37-7-11-39-12-8-37/h16-19H,1-15H2,(H3,26,28,30,32,34)(H3,27,29,31,33,35).

What are the key properties of 6-[5-[4-amino-6-(2-morpholin-4-ylethylamino)-1,3,5-triazin-2-yl]-2-bicyclo[2.2.1]heptanyl]-2-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine?

6-[5-[4-amino-6-(2-morpholin-4-ylethylamino)-1,3,5-triazin-2-yl]-2-bicyclo[2.2.1]heptanyl]-2-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 540.68 g/mol, XLogP of 0.01, 10 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[5-[4-amino-6-(2-morpholin-4-ylethylamino)-1,3,5-triazin-2-yl]-2-bicyclo[2.2.1]heptanyl]-2-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 54215998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).