6-[[4-[2-(2-aminoethoxy)ethoxymethyl]phenyl]methoxy]-7H-purin-2-amine;1,3-bis[2-[2-[[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methoxy]ethoxy]ethyl]urea;bis(2,5-dioxopyrrolidin-1-yl) carbonate

C61H72N20O17 — CID 157337181

About 6-[[4-[2-(2-aminoethoxy)ethoxymethyl]phenyl]methoxy]-7H-purin-2-amine;1,3-bis[2-[2-[[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methoxy]ethoxy]ethyl]urea;bis(2,5-dioxopyrrolidin-1-yl) carbonate

6-[[4-[2-(2-aminoethoxy)ethoxymethyl]phenyl]methoxy]-7H-purin-2-amine;1,3-bis[2-[2-[[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methoxy]ethoxy]ethyl]urea;bis(2,5-dioxopyrrolidin-1-yl) carbonate (PubChem CID 157337181) has the molecular formula C61H72N20O17 and a molecular weight of 1357.37 g/mol. Its IUPAC name is 6-[[4-[2-(2-aminoethoxy)ethoxymethyl]phenyl]methoxy]-7H-purin-2-amine;1,3-bis[2-[2-[[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methoxy]ethoxy]ethyl]urea;bis(2,5-dioxopyrrolidin-1-yl) carbonate.

Molecular Properties

• Compound Name: 6-[[4-[2-(2-aminoethoxy)ethoxymethyl]phenyl]methoxy]-7H-purin-2-amine;1,3-bis[2-[2-[[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methoxy]ethoxy]ethyl]urea;bis(2,5-dioxopyrrolidin-1-yl) carbonate
• PubChem CID: 157337181
• Molecular Formula: C61H72N20O17
• Molecular Weight: 1357.37 g/mol
• Exact Mass: 1356.54
• IUPAC Name: 6-[[4-[2-(2-aminoethoxy)ethoxymethyl]phenyl]methoxy]-7H-purin-2-amine;1,3-bis[2-[2-[[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methoxy]ethoxy]ethyl]urea;bis(2,5-dioxopyrrolidin-1-yl) carbonate
• SMILES: NCCOCCOCc1ccc(COc2nc(N)nc3nc[nH]c23)cc1.Nc1nc(OCc2ccc(COCCOCCNC(=O)NCCOCCOCc3ccc(COc4nc(N)nc5nc[nH]c45)cc3)cc2)c2[nH]cnc2n1.O=C(ON1C(=O)CCC1=O)ON1C(=O)CCC1=O
• InChI: InChI=1S/C35H42N12O7.C17H22N6O3.C9H8N2O7/c36-33-44-29-27(40-21-42-29)31(46-33)53-19-25-5-1-23(2-6-25)17-51-15-13-49-11-9-38-35(48)39-10-12-50-14-16-52-18-24-3-7-26(8-4-24)20-54-32-28-30(43-22-41-28)45-34(37)47-32;18-5-6-24-7-8-25-9-12-1-3-13(4-2-12)10-26-16-14-15(21-11-20-14)22-17(19)23-16;12-5-1-2-6(13)10(5)17-9(16)18-11-7(14)3-4-8(11)15/h1-8,21-22H,9-20H2,(H2,38,39,48)(H3,36,40,42,44,46)(H3,37,41,43,45,47);1-4,11H,5-10,18H2,(H3,19,20,21,22,23);1-4H2
• InChIKey: BFYSRJFXXUCOPQ-UHFFFAOYSA-N
• XLogP: 2.68
• TPSA: 501.95 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 30
• Rotatable Bonds: 34
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1357.37
LogP ≤ 5	2.68
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[[4-[2-(2-aminoethoxy)ethoxymethyl]phenyl]methoxy]-7H-purin-2-amine;1,3-bis[2-[2-[[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methoxy]ethoxy]ethyl]urea;bis(2,5-dioxopyrrolidin-1-yl) carbonate?

The IUPAC name of 6-[[4-[2-(2-aminoethoxy)ethoxymethyl]phenyl]methoxy]-7H-purin-2-amine;1,3-bis[2-[2-[[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methoxy]ethoxy]ethyl]urea;bis(2,5-dioxopyrrolidin-1-yl) carbonate (CID 157337181) is 6-[[4-[2-(2-aminoethoxy)ethoxymethyl]phenyl]methoxy]-7H-purin-2-amine;1,3-bis[2-[2-[[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methoxy]ethoxy]ethyl]urea;bis(2,5-dioxopyrrolidin-1-yl) carbonate.

What is the SMILES notation for 6-[[4-[2-(2-aminoethoxy)ethoxymethyl]phenyl]methoxy]-7H-purin-2-amine;1,3-bis[2-[2-[[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methoxy]ethoxy]ethyl]urea;bis(2,5-dioxopyrrolidin-1-yl) carbonate?

The canonical SMILES for 6-[[4-[2-(2-aminoethoxy)ethoxymethyl]phenyl]methoxy]-7H-purin-2-amine;1,3-bis[2-[2-[[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methoxy]ethoxy]ethyl]urea;bis(2,5-dioxopyrrolidin-1-yl) carbonate is NCCOCCOCc1ccc(COc2nc(N)nc3nc[nH]c23)cc1.Nc1nc(OCc2ccc(COCCOCCNC(=O)NCCOCCOCc3ccc(COc4nc(N)nc5nc[nH]c45)cc3)cc2)c2[nH]cnc2n1.O=C(ON1C(=O)CCC1=O)ON1C(=O)CCC1=O.

What is the InChIKey of 6-[[4-[2-(2-aminoethoxy)ethoxymethyl]phenyl]methoxy]-7H-purin-2-amine;1,3-bis[2-[2-[[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methoxy]ethoxy]ethyl]urea;bis(2,5-dioxopyrrolidin-1-yl) carbonate?

The InChIKey is BFYSRJFXXUCOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H42N12O7.C17H22N6O3.C9H8N2O7/c36-33-44-29-27(40-21-42-29)31(46-33)53-19-25-5-1-23(2-6-25)17-51-15-13-49-11-9-38-35(48)39-10-12-50-14-16-52-18-24-3-7-26(8-4-24)20-54-32-28-30(43-22-41-28)45-34(37)47-32;18-5-6-24-7-8-25-9-12-1-3-13(4-2-12)10-26-16-14-15(21-11-20-14)22-17(19)23-16;12-5-1-2-6(13)10(5)17-9(16)18-11-7(14)3-4-8(11)15/h1-8,21-22H,9-20H2,(H2,38,39,48)(H3,36,40,42,44,46)(H3,37,41,43,45,47);1-4,11H,5-10,18H2,(H3,19,20,21,22,23);1-4H2.

What are the key properties of 6-[[4-[2-(2-aminoethoxy)ethoxymethyl]phenyl]methoxy]-7H-purin-2-amine;1,3-bis[2-[2-[[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methoxy]ethoxy]ethyl]urea;bis(2,5-dioxopyrrolidin-1-yl) carbonate?

6-[[4-[2-(2-aminoethoxy)ethoxymethyl]phenyl]methoxy]-7H-purin-2-amine;1,3-bis[2-[2-[[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methoxy]ethoxy]ethyl]urea;bis(2,5-dioxopyrrolidin-1-yl) carbonate has a molecular weight of 1357.37 g/mol, XLogP of 2.68, 34 rotatable bonds, 9 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[4-[2-(2-aminoethoxy)ethoxymethyl]phenyl]methoxy]-7H-purin-2-amine;1,3-bis[2-[2-[[4-[(2-amino-7H-purin-6-yl)oxymethyl]phenyl]methoxy]ethoxy]ethyl]urea;bis(2,5-dioxopyrrolidin-1-yl) carbonate is sourced from PubChem (CID 157337181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).