4-[2-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]ethylamino]-2-methyl-4-oxobutanoic acid;4-[2-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]ethylamino]-3-methyl-4-oxobutanoic acid;1-[2-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]ethyl]-3-methylpyrrolidine-2,5-dione;8-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-2-methyl-4,8-dioxooctanoic acid;1-[2-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-2-oxoethyl]-3-methylpyrrolidine-2,5-dione;4-[[3-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-3-oxopropyl]amino]-3-methyl-4-oxobutanoic acid

C189H271N47O19 — CID 158957179

About 4-[2-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]ethylamino]-2-methyl-4-oxobutanoic acid;4-[2-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]ethylamino]-3-methyl-4-oxobutanoic acid;1-[2-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]ethyl]-3-methylpyrrolidine-2,5-dione;8-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-2-methyl-4,8-dioxooctanoic acid;1-[2-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-2-oxoethyl]-3-methylpyrrolidine-2,5-dione;4-[[3-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-3-oxopropyl]amino]-3-methyl-4-oxobutanoic acid

4-[2-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]ethylamino]-2-methyl-4-oxobutanoic acid;4-[2-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]ethylamino]-3-methyl-4-oxobutanoic acid;1-[2-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]ethyl]-3-methylpyrrolidine-2,5-dione;8-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-2-methyl-4,8-dioxooctanoic acid;1-[2-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-2-oxoethyl]-3-methylpyrrolidine-2,5-dione;4-[[3-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-3-oxopropyl]amino]-3-methyl-4-oxobutanoic acid (PubChem CID 158957179) has the molecular formula C189H271N47O19 and a molecular weight of 3505.56 g/mol. Its IUPAC name is 4-[2-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]ethylamino]-2-methyl-4-oxobutanoic acid;4-[2-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]ethylamino]-3-methyl-4-oxobutanoic acid;1-[2-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]ethyl]-3-methylpyrrolidine-2,5-dione;8-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-2-methyl-4,8-dioxooctanoic acid;1-[2-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-2-oxoethyl]-3-methylpyrrolidine-2,5-dione;4-[[3-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-3-oxopropyl]amino]-3-methyl-4-oxobutanoic acid.

Molecular Properties

• Compound Name: 4-[2-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]ethylamino]-2-methyl-4-oxobutanoic acid;4-[2-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]ethylamino]-3-methyl-4-oxobutanoic acid;1-[2-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]ethyl]-3-methylpyrrolidine-2,5-dione;8-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-2-methyl-4,8-dioxooctanoic acid;1-[2-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-2-oxoethyl]-3-methylpyrrolidine-2,5-dione;4-[[3-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-3-oxopropyl]amino]-3-methyl-4-oxobutanoic acid
• PubChem CID: 158957179
• Molecular Formula: C189H271N47O19
• Molecular Weight: 3505.56 g/mol
• Exact Mass: 3503.17
• IUPAC Name: 4-[2-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]ethylamino]-2-methyl-4-oxobutanoic acid;4-[2-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]ethylamino]-3-methyl-4-oxobutanoic acid;1-[2-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]ethyl]-3-methylpyrrolidine-2,5-dione;8-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-2-methyl-4,8-dioxooctanoic acid;1-[2-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-2-oxoethyl]-3-methylpyrrolidine-2,5-dione;4-[[3-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-3-oxopropyl]amino]-3-methyl-4-oxobutanoic acid
• SMILES: CCCCCNc1nc(N)nc2ccn(Cc3ccc(CN4CCN(C(=O)CCCC(=O)CC(C)C(=O)O)CC4)cc3C)c12.CCCCCNc1nc(N)nc2ccn(Cc3ccc(CN4CCN(C(=O)CCNC(=O)C(C)CC(=O)O)CC4)cc3C)c12.CCCCCNc1nc(N)nc2ccn(Cc3ccc(CN4CCN(C(=O)CN5C(=O)CC(C)C5=O)CC4)cc3C)c12.CCCCCNc1nc(N)nc2ccn(Cc3ccc(CN4CCN(CCN5C(=O)CC(C)C5=O)CC4)cc3C)c12.CCCCCNc1nc(N)nc2ccn(Cc3ccc(CN4CCN(CCNC(=O)C(C)CC(=O)O)CC4)cc3C)c12.CCCCCNc1nc(N)nc2ccn(Cc3ccc(CN4CCN(CCNC(=O)CC(C)C(=O)O)CC4)cc3C)c12
• InChI: InChI=1S/C33H47N7O4.C32H46N8O4.C31H42N8O3.2C31H46N8O3.C31H44N8O2/c1-4-5-6-13-35-31-30-28(36-33(34)37-31)12-14-40(30)22-26-11-10-25(19-23(26)2)21-38-15-17-39(18-16-38)29(42)9-7-8-27(41)20-24(3)32(43)44;1-4-5-6-11-34-30-29-26(36-32(33)37-30)10-13-40(29)21-25-8-7-24(18-22(25)2)20-38-14-16-39(17-15-38)27(41)9-12-35-31(44)23(3)19-28(42)43;1-4-5-6-10-33-29-28-25(34-31(32)35-29)9-11-38(28)19-24-8-7-23(16-21(24)2)18-36-12-14-37(15-13-36)27(41)20-39-26(40)17-22(3)30(39)42;1-4-5-6-10-34-29-28-26(35-31(32)36-29)9-12-39(28)21-25-8-7-24(18-22(25)2)20-38-16-14-37(15-17-38)13-11-33-27(40)19-23(3)30(41)42;1-4-5-6-10-33-29-28-26(35-31(32)36-29)9-12-39(28)21-25-8-7-24(18-22(25)2)20-38-16-14-37(15-17-38)13-11-34-30(42)23(3)19-27(40)41;1-4-5-6-10-33-29-28-26(34-31(32)35-29)9-11-38(28)21-25-8-7-24(18-22(25)2)20-37-14-12-36(13-15-37)16-17-39-27(40)19-23(3)30(39)41/h10-12,14,19,24H,4-9,13,15-18,20-22H2,1-3H3,(H,43,44)(H3,34,35,36,37);7-8,10,13,18,23H,4-6,9,11-12,14-17,19-21H2,1-3H3,(H,35,44)(H,42,43)(H3,33,34,36,37);7-9,11,16,22H,4-6,10,12-15,17-20H2,1-3H3,(H3,32,33,34,35);7-9,12,18,23H,4-6,10-11,13-17,19-21H2,1-3H3,(H,33,40)(H,41,42)(H3,32,34,35,36);7-9,12,18,23H,4-6,10-11,13-17,19-21H2,1-3H3,(H,34,42)(H,40,41)(H3,32,33,35,36);7-9,11,18,23H,4-6,10,12-17,19-21H2,1-3H3,(H3,32,33,34,35)
• InChIKey: JMDPDBXKYHPTRT-UHFFFAOYSA-N
• XLogP: 20.83
• TPSA: 830.98 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 54
• Rotatable Bonds: 84
• Heavy Atoms: 255
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3505.56
LogP ≤ 5	20.83
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	54

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 4-[2-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]ethylamino]-2-methyl-4-oxobutanoic acid;4-[2-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]ethylamino]-3-methyl-4-oxobutanoic acid;1-[2-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]ethyl]-3-methylpyrrolidine-2,5-dione;8-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-2-methyl-4,8-dioxooctanoic acid;1-[2-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-2-oxoethyl]-3-methylpyrrolidine-2,5-dione;4-[[3-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-3-oxopropyl]amino]-3-methyl-4-oxobutanoic acid?

The IUPAC name of 4-[2-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]ethylamino]-2-methyl-4-oxobutanoic acid;4-[2-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]ethylamino]-3-methyl-4-oxobutanoic acid;1-[2-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]ethyl]-3-methylpyrrolidine-2,5-dione;8-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-2-methyl-4,8-dioxooctanoic acid;1-[2-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-2-oxoethyl]-3-methylpyrrolidine-2,5-dione;4-[[3-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-3-oxopropyl]amino]-3-methyl-4-oxobutanoic acid (CID 158957179) is 4-[2-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]ethylamino]-2-methyl-4-oxobutanoic acid;4-[2-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]ethylamino]-3-methyl-4-oxobutanoic acid;1-[2-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]ethyl]-3-methylpyrrolidine-2,5-dione;8-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-2-methyl-4,8-dioxooctanoic acid;1-[2-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-2-oxoethyl]-3-methylpyrrolidine-2,5-dione;4-[[3-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-3-oxopropyl]amino]-3-methyl-4-oxobutanoic acid.

What is the SMILES notation for 4-[2-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]ethylamino]-2-methyl-4-oxobutanoic acid;4-[2-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]ethylamino]-3-methyl-4-oxobutanoic acid;1-[2-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]ethyl]-3-methylpyrrolidine-2,5-dione;8-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-2-methyl-4,8-dioxooctanoic acid;1-[2-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-2-oxoethyl]-3-methylpyrrolidine-2,5-dione;4-[[3-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-3-oxopropyl]amino]-3-methyl-4-oxobutanoic acid?

The canonical SMILES for 4-[2-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]ethylamino]-2-methyl-4-oxobutanoic acid;4-[2-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]ethylamino]-3-methyl-4-oxobutanoic acid;1-[2-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]ethyl]-3-methylpyrrolidine-2,5-dione;8-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-2-methyl-4,8-dioxooctanoic acid;1-[2-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-2-oxoethyl]-3-methylpyrrolidine-2,5-dione;4-[[3-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-3-oxopropyl]amino]-3-methyl-4-oxobutanoic acid is CCCCCNc1nc(N)nc2ccn(Cc3ccc(CN4CCN(C(=O)CCCC(=O)CC(C)C(=O)O)CC4)cc3C)c12.CCCCCNc1nc(N)nc2ccn(Cc3ccc(CN4CCN(C(=O)CCNC(=O)C(C)CC(=O)O)CC4)cc3C)c12.CCCCCNc1nc(N)nc2ccn(Cc3ccc(CN4CCN(C(=O)CN5C(=O)CC(C)C5=O)CC4)cc3C)c12.CCCCCNc1nc(N)nc2ccn(Cc3ccc(CN4CCN(CCN5C(=O)CC(C)C5=O)CC4)cc3C)c12.CCCCCNc1nc(N)nc2ccn(Cc3ccc(CN4CCN(CCNC(=O)C(C)CC(=O)O)CC4)cc3C)c12.CCCCCNc1nc(N)nc2ccn(Cc3ccc(CN4CCN(CCNC(=O)CC(C)C(=O)O)CC4)cc3C)c12.

What is the InChIKey of 4-[2-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]ethylamino]-2-methyl-4-oxobutanoic acid;4-[2-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]ethylamino]-3-methyl-4-oxobutanoic acid;1-[2-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]ethyl]-3-methylpyrrolidine-2,5-dione;8-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-2-methyl-4,8-dioxooctanoic acid;1-[2-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-2-oxoethyl]-3-methylpyrrolidine-2,5-dione;4-[[3-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-3-oxopropyl]amino]-3-methyl-4-oxobutanoic acid?

The InChIKey is JMDPDBXKYHPTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H47N7O4.C32H46N8O4.C31H42N8O3.2C31H46N8O3.C31H44N8O2/c1-4-5-6-13-35-31-30-28(36-33(34)37-31)12-14-40(30)22-26-11-10-25(19-23(26)2)21-38-15-17-39(18-16-38)29(42)9-7-8-27(41)20-24(3)32(43)44;1-4-5-6-11-34-30-29-26(36-32(33)37-30)10-13-40(29)21-25-8-7-24(18-22(25)2)20-38-14-16-39(17-15-38)27(41)9-12-35-31(44)23(3)19-28(42)43;1-4-5-6-10-33-29-28-25(34-31(32)35-29)9-11-38(28)19-24-8-7-23(16-21(24)2)18-36-12-14-37(15-13-36)27(41)20-39-26(40)17-22(3)30(39)42;1-4-5-6-10-34-29-28-26(35-31(32)36-29)9-12-39(28)21-25-8-7-24(18-22(25)2)20-38-16-14-37(15-17-38)13-11-33-27(40)19-23(3)30(41)42;1-4-5-6-10-33-29-28-26(35-31(32)36-29)9-12-39(28)21-25-8-7-24(18-22(25)2)20-38-16-14-37(15-17-38)13-11-34-30(42)23(3)19-27(40)41;1-4-5-6-10-33-29-28-26(34-31(32)35-29)9-11-38(28)21-25-8-7-24(18-22(25)2)20-37-14-12-36(13-15-37)16-17-39-27(40)19-23(3)30(39)41/h10-12,14,19,24H,4-9,13,15-18,20-22H2,1-3H3,(H,43,44)(H3,34,35,36,37);7-8,10,13,18,23H,4-6,9,11-12,14-17,19-21H2,1-3H3,(H,35,44)(H,42,43)(H3,33,34,36,37);7-9,11,16,22H,4-6,10,12-15,17-20H2,1-3H3,(H3,32,33,34,35);7-9,12,18,23H,4-6,10-11,13-17,19-21H2,1-3H3,(H,33,40)(H,41,42)(H3,32,34,35,36);7-9,12,18,23H,4-6,10-11,13-17,19-21H2,1-3H3,(H,34,42)(H,40,41)(H3,32,33,35,36);7-9,11,18,23H,4-6,10,12-17,19-21H2,1-3H3,(H3,32,33,34,35).

What are the key properties of 4-[2-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]ethylamino]-2-methyl-4-oxobutanoic acid;4-[2-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]ethylamino]-3-methyl-4-oxobutanoic acid;1-[2-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]ethyl]-3-methylpyrrolidine-2,5-dione;8-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-2-methyl-4,8-dioxooctanoic acid;1-[2-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-2-oxoethyl]-3-methylpyrrolidine-2,5-dione;4-[[3-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-3-oxopropyl]amino]-3-methyl-4-oxobutanoic acid?

4-[2-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]ethylamino]-2-methyl-4-oxobutanoic acid;4-[2-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]ethylamino]-3-methyl-4-oxobutanoic acid;1-[2-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]ethyl]-3-methylpyrrolidine-2,5-dione;8-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-2-methyl-4,8-dioxooctanoic acid;1-[2-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-2-oxoethyl]-3-methylpyrrolidine-2,5-dione;4-[[3-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-3-oxopropyl]amino]-3-methyl-4-oxobutanoic acid has a molecular weight of 3505.56 g/mol, XLogP of 20.83, 84 rotatable bonds, 19 hydrogen bond donors, and 54 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]ethylamino]-2-methyl-4-oxobutanoic acid;4-[2-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]ethylamino]-3-methyl-4-oxobutanoic acid;1-[2-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]ethyl]-3-methylpyrrolidine-2,5-dione;8-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-2-methyl-4,8-dioxooctanoic acid;1-[2-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-2-oxoethyl]-3-methylpyrrolidine-2,5-dione;4-[[3-[4-[[4-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-3-methylphenyl]methyl]piperazin-1-yl]-3-oxopropyl]amino]-3-methyl-4-oxobutanoic acid is sourced from PubChem (CID 158957179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).