[3-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-4-methylphenyl]methanol;(2R)-1-[[3-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-4-methylphenyl]methyl]pyrrolidine-2-carboxylic acid;tert-butyl (2R)-1-[[3-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-4-methylphenyl]methyl]pyrrolidine-2-carboxylate;tert-butyl (2R)-pyrrolidine-2-carboxylate;5-[[5-(chloromethyl)-2-methylphenyl]methyl]-4-N-pentylpyrrolo[3,2-d]pyrimidine-2,4-diamine;methyl 3-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-4-methylbenzoate;thionyl dichloride

C124H173Cl3N28O10S — CID 159087862

About [3-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-4-methylphenyl]methanol;(2R)-1-[[3-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-4-methylphenyl]methyl]pyrrolidine-2-carboxylic acid;tert-butyl (2R)-1-[[3-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-4-methylphenyl]methyl]pyrrolidine-2-carboxylate;tert-butyl (2R)-pyrrolidine-2-carboxylate;5-[[5-(chloromethyl)-2-methylphenyl]methyl]-4-N-pentylpyrrolo[3,2-d]pyrimidine-2,4-diamine;methyl 3-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-4-methylbenzoate;thionyl dichloride

[3-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-4-methylphenyl]methanol;(2R)-1-[[3-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-4-methylphenyl]methyl]pyrrolidine-2-carboxylic acid;tert-butyl (2R)-1-[[3-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-4-methylphenyl]methyl]pyrrolidine-2-carboxylate;tert-butyl (2R)-pyrrolidine-2-carboxylate;5-[[5-(chloromethyl)-2-methylphenyl]methyl]-4-N-pentylpyrrolo[3,2-d]pyrimidine-2,4-diamine;methyl 3-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-4-methylbenzoate;thionyl dichloride (PubChem CID 159087862) has the molecular formula C124H173Cl3N28O10S and a molecular weight of 2354.36 g/mol. Its IUPAC name is [3-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-4-methylphenyl]methanol;(2R)-1-[[3-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-4-methylphenyl]methyl]pyrrolidine-2-carboxylic acid;tert-butyl (2R)-1-[[3-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-4-methylphenyl]methyl]pyrrolidine-2-carboxylate;tert-butyl (2R)-pyrrolidine-2-carboxylate;5-[[5-(chloromethyl)-2-methylphenyl]methyl]-4-N-pentylpyrrolo[3,2-d]pyrimidine-2,4-diamine;methyl 3-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-4-methylbenzoate;thionyl dichloride.

Molecular Properties

• Compound Name: [3-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-4-methylphenyl]methanol;(2R)-1-[[3-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-4-methylphenyl]methyl]pyrrolidine-2-carboxylic acid;tert-butyl (2R)-1-[[3-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-4-methylphenyl]methyl]pyrrolidine-2-carboxylate;tert-butyl (2R)-pyrrolidine-2-carboxylate;5-[[5-(chloromethyl)-2-methylphenyl]methyl]-4-N-pentylpyrrolo[3,2-d]pyrimidine-2,4-diamine;methyl 3-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-4-methylbenzoate;thionyl dichloride
• PubChem CID: 159087862
• Molecular Formula: C124H173Cl3N28O10S
• Molecular Weight: 2354.36 g/mol
• Exact Mass: 2351.27
• IUPAC Name: [3-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-4-methylphenyl]methanol;(2R)-1-[[3-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-4-methylphenyl]methyl]pyrrolidine-2-carboxylic acid;tert-butyl (2R)-1-[[3-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-4-methylphenyl]methyl]pyrrolidine-2-carboxylate;tert-butyl (2R)-pyrrolidine-2-carboxylate;5-[[5-(chloromethyl)-2-methylphenyl]methyl]-4-N-pentylpyrrolo[3,2-d]pyrimidine-2,4-diamine;methyl 3-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-4-methylbenzoate;thionyl dichloride
• SMILES: CC(C)(C)OC(=O)[C@H]1CCCN1.CCCCCNc1nc(N)nc2ccn(Cc3cc(C(=O)OC)ccc3C)c12.CCCCCNc1nc(N)nc2ccn(Cc3cc(CCl)ccc3C)c12.CCCCCNc1nc(N)nc2ccn(Cc3cc(CN4CCC[C@@H]4C(=O)O)ccc3C)c12.CCCCCNc1nc(N)nc2ccn(Cc3cc(CN4CCC[C@@H]4C(=O)OC(C)(C)C)ccc3C)c12.CCCCCNc1nc(N)nc2ccn(Cc3cc(CO)ccc3C)c12.O=S(Cl)Cl
• InChI: InChI=1S/C29H42N6O2.C25H34N6O2.C21H27N5O2.C20H26ClN5.C20H27N5O.C9H17NO2.Cl2OS/c1-6-7-8-14-31-26-25-23(32-28(30)33-26)13-16-35(25)19-22-17-21(12-11-20(22)2)18-34-15-9-10-24(34)27(36)37-29(3,4)5;1-3-4-5-11-27-23-22-20(28-25(26)29-23)10-13-31(22)16-19-14-18(9-8-17(19)2)15-30-12-6-7-21(30)24(32)33;1-4-5-6-10-23-19-18-17(24-21(22)25-19)9-11-26(18)13-16-12-15(20(27)28-3)8-7-14(16)2;1-3-4-5-9-23-19-18-17(24-20(22)25-19)8-10-26(18)13-16-11-15(12-21)7-6-14(16)2;1-3-4-5-9-22-19-18-17(23-20(21)24-19)8-10-25(18)12-16-11-15(13-26)7-6-14(16)2;1-9(2,3)12-8(11)7-5-4-6-10-7;1-4(2)3/h11-13,16-17,24H,6-10,14-15,18-19H2,1-5H3,(H3,30,31,32,33);8-10,13-14,21H,3-7,11-12,15-16H2,1-2H3,(H,32,33)(H3,26,27,28,29);7-9,11-12H,4-6,10,13H2,1-3H3,(H3,22,23,24,25);6-8,10-11H,3-5,9,12-13H2,1-2H3,(H3,22,23,24,25);6-8,10-11,26H,3-5,9,12-13H2,1-2H3,(H3,21,22,23,24);7,10H,4-6H2,1-3H3;/t24-;21-;;;;7-;/m11...1./s1
• InChIKey: KBRDKSWNKARSJM-RBQDCEKISA-N
• XLogP: 23.36
• TPSA: 515.81 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 37
• Rotatable Bonds: 45
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2354.36
LogP ≤ 5	23.36
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [3-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-4-methylphenyl]methanol;(2R)-1-[[3-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-4-methylphenyl]methyl]pyrrolidine-2-carboxylic acid;tert-butyl (2R)-1-[[3-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-4-methylphenyl]methyl]pyrrolidine-2-carboxylate;tert-butyl (2R)-pyrrolidine-2-carboxylate;5-[[5-(chloromethyl)-2-methylphenyl]methyl]-4-N-pentylpyrrolo[3,2-d]pyrimidine-2,4-diamine;methyl 3-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-4-methylbenzoate;thionyl dichloride?

The IUPAC name of [3-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-4-methylphenyl]methanol;(2R)-1-[[3-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-4-methylphenyl]methyl]pyrrolidine-2-carboxylic acid;tert-butyl (2R)-1-[[3-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-4-methylphenyl]methyl]pyrrolidine-2-carboxylate;tert-butyl (2R)-pyrrolidine-2-carboxylate;5-[[5-(chloromethyl)-2-methylphenyl]methyl]-4-N-pentylpyrrolo[3,2-d]pyrimidine-2,4-diamine;methyl 3-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-4-methylbenzoate;thionyl dichloride (CID 159087862) is [3-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-4-methylphenyl]methanol;(2R)-1-[[3-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-4-methylphenyl]methyl]pyrrolidine-2-carboxylic acid;tert-butyl (2R)-1-[[3-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-4-methylphenyl]methyl]pyrrolidine-2-carboxylate;tert-butyl (2R)-pyrrolidine-2-carboxylate;5-[[5-(chloromethyl)-2-methylphenyl]methyl]-4-N-pentylpyrrolo[3,2-d]pyrimidine-2,4-diamine;methyl 3-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-4-methylbenzoate;thionyl dichloride.

What is the SMILES notation for [3-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-4-methylphenyl]methanol;(2R)-1-[[3-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-4-methylphenyl]methyl]pyrrolidine-2-carboxylic acid;tert-butyl (2R)-1-[[3-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-4-methylphenyl]methyl]pyrrolidine-2-carboxylate;tert-butyl (2R)-pyrrolidine-2-carboxylate;5-[[5-(chloromethyl)-2-methylphenyl]methyl]-4-N-pentylpyrrolo[3,2-d]pyrimidine-2,4-diamine;methyl 3-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-4-methylbenzoate;thionyl dichloride?

The canonical SMILES for [3-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-4-methylphenyl]methanol;(2R)-1-[[3-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-4-methylphenyl]methyl]pyrrolidine-2-carboxylic acid;tert-butyl (2R)-1-[[3-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-4-methylphenyl]methyl]pyrrolidine-2-carboxylate;tert-butyl (2R)-pyrrolidine-2-carboxylate;5-[[5-(chloromethyl)-2-methylphenyl]methyl]-4-N-pentylpyrrolo[3,2-d]pyrimidine-2,4-diamine;methyl 3-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-4-methylbenzoate;thionyl dichloride is CC(C)(C)OC(=O)[C@H]1CCCN1.CCCCCNc1nc(N)nc2ccn(Cc3cc(C(=O)OC)ccc3C)c12.CCCCCNc1nc(N)nc2ccn(Cc3cc(CCl)ccc3C)c12.CCCCCNc1nc(N)nc2ccn(Cc3cc(CN4CCC[C@@H]4C(=O)O)ccc3C)c12.CCCCCNc1nc(N)nc2ccn(Cc3cc(CN4CCC[C@@H]4C(=O)OC(C)(C)C)ccc3C)c12.CCCCCNc1nc(N)nc2ccn(Cc3cc(CO)ccc3C)c12.O=S(Cl)Cl.

What is the InChIKey of [3-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-4-methylphenyl]methanol;(2R)-1-[[3-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-4-methylphenyl]methyl]pyrrolidine-2-carboxylic acid;tert-butyl (2R)-1-[[3-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-4-methylphenyl]methyl]pyrrolidine-2-carboxylate;tert-butyl (2R)-pyrrolidine-2-carboxylate;5-[[5-(chloromethyl)-2-methylphenyl]methyl]-4-N-pentylpyrrolo[3,2-d]pyrimidine-2,4-diamine;methyl 3-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-4-methylbenzoate;thionyl dichloride?

The InChIKey is KBRDKSWNKARSJM-RBQDCEKISA-N. The full InChI is InChI=1S/C29H42N6O2.C25H34N6O2.C21H27N5O2.C20H26ClN5.C20H27N5O.C9H17NO2.Cl2OS/c1-6-7-8-14-31-26-25-23(32-28(30)33-26)13-16-35(25)19-22-17-21(12-11-20(22)2)18-34-15-9-10-24(34)27(36)37-29(3,4)5;1-3-4-5-11-27-23-22-20(28-25(26)29-23)10-13-31(22)16-19-14-18(9-8-17(19)2)15-30-12-6-7-21(30)24(32)33;1-4-5-6-10-23-19-18-17(24-21(22)25-19)9-11-26(18)13-16-12-15(20(27)28-3)8-7-14(16)2;1-3-4-5-9-23-19-18-17(24-20(22)25-19)8-10-26(18)13-16-11-15(12-21)7-6-14(16)2;1-3-4-5-9-22-19-18-17(23-20(21)24-19)8-10-25(18)12-16-11-15(13-26)7-6-14(16)2;1-9(2,3)12-8(11)7-5-4-6-10-7;1-4(2)3/h11-13,16-17,24H,6-10,14-15,18-19H2,1-5H3,(H3,30,31,32,33);8-10,13-14,21H,3-7,11-12,15-16H2,1-2H3,(H,32,33)(H3,26,27,28,29);7-9,11-12H,4-6,10,13H2,1-3H3,(H3,22,23,24,25);6-8,10-11H,3-5,9,12-13H2,1-2H3,(H3,22,23,24,25);6-8,10-11,26H,3-5,9,12-13H2,1-2H3,(H3,21,22,23,24);7,10H,4-6H2,1-3H3;/t24-;21-;;;;7-;/m11...1./s1.

What are the key properties of [3-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-4-methylphenyl]methanol;(2R)-1-[[3-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-4-methylphenyl]methyl]pyrrolidine-2-carboxylic acid;tert-butyl (2R)-1-[[3-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-4-methylphenyl]methyl]pyrrolidine-2-carboxylate;tert-butyl (2R)-pyrrolidine-2-carboxylate;5-[[5-(chloromethyl)-2-methylphenyl]methyl]-4-N-pentylpyrrolo[3,2-d]pyrimidine-2,4-diamine;methyl 3-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-4-methylbenzoate;thionyl dichloride?

[3-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-4-methylphenyl]methanol;(2R)-1-[[3-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-4-methylphenyl]methyl]pyrrolidine-2-carboxylic acid;tert-butyl (2R)-1-[[3-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-4-methylphenyl]methyl]pyrrolidine-2-carboxylate;tert-butyl (2R)-pyrrolidine-2-carboxylate;5-[[5-(chloromethyl)-2-methylphenyl]methyl]-4-N-pentylpyrrolo[3,2-d]pyrimidine-2,4-diamine;methyl 3-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-4-methylbenzoate;thionyl dichloride has a molecular weight of 2354.36 g/mol, XLogP of 23.36, 45 rotatable bonds, 13 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-4-methylphenyl]methanol;(2R)-1-[[3-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-4-methylphenyl]methyl]pyrrolidine-2-carboxylic acid;tert-butyl (2R)-1-[[3-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-4-methylphenyl]methyl]pyrrolidine-2-carboxylate;tert-butyl (2R)-pyrrolidine-2-carboxylate;5-[[5-(chloromethyl)-2-methylphenyl]methyl]-4-N-pentylpyrrolo[3,2-d]pyrimidine-2,4-diamine;methyl 3-[[2-amino-4-(pentylamino)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-4-methylbenzoate;thionyl dichloride is sourced from PubChem (CID 159087862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).