[4-[[6-amino-8-bromo-2-(pyridin-4-ylmethylamino)purin-9-yl]methyl]phenyl]methanol;4-amino-7-[[4-(chloromethyl)phenyl]methyl]-2-(pyridin-4-ylmethylamino)-5H-pyrrolo[2,3-d]pyrimidin-6-one;[4-[(6-amino-2-chloropurin-9-yl)methyl]phenyl]methanol;4-amino-7-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(pyridin-4-ylmethylamino)-5H-pyrrolo[2,3-d]pyrimidin-6-one;[4-[[6-amino-8-methoxy-2-(pyridin-4-ylmethylamino)purin-9-yl]methyl]phenyl]methanol;[4-[[6-amino-2-(pyridin-4-ylmethylamino)purin-9-yl]methyl]phenyl]methanol;2,6-dichloro-7H-purine

C118H116BrCl4N43O7 — CID 161076891

About [4-[[6-amino-8-bromo-2-(pyridin-4-ylmethylamino)purin-9-yl]methyl]phenyl]methanol;4-amino-7-[[4-(chloromethyl)phenyl]methyl]-2-(pyridin-4-ylmethylamino)-5H-pyrrolo[2,3-d]pyrimidin-6-one;[4-[(6-amino-2-chloropurin-9-yl)methyl]phenyl]methanol;4-amino-7-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(pyridin-4-ylmethylamino)-5H-pyrrolo[2,3-d]pyrimidin-6-one;[4-[[6-amino-8-methoxy-2-(pyridin-4-ylmethylamino)purin-9-yl]methyl]phenyl]methanol;[4-[[6-amino-2-(pyridin-4-ylmethylamino)purin-9-yl]methyl]phenyl]methanol;2,6-dichloro-7H-purine

[4-[[6-amino-8-bromo-2-(pyridin-4-ylmethylamino)purin-9-yl]methyl]phenyl]methanol;4-amino-7-[[4-(chloromethyl)phenyl]methyl]-2-(pyridin-4-ylmethylamino)-5H-pyrrolo[2,3-d]pyrimidin-6-one;[4-[(6-amino-2-chloropurin-9-yl)methyl]phenyl]methanol;4-amino-7-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(pyridin-4-ylmethylamino)-5H-pyrrolo[2,3-d]pyrimidin-6-one;[4-[[6-amino-8-methoxy-2-(pyridin-4-ylmethylamino)purin-9-yl]methyl]phenyl]methanol;[4-[[6-amino-2-(pyridin-4-ylmethylamino)purin-9-yl]methyl]phenyl]methanol;2,6-dichloro-7H-purine (PubChem CID 161076891) has the molecular formula C118H116BrCl4N43O7 and a molecular weight of 2470.24 g/mol. Its IUPAC name is [4-[[6-amino-8-bromo-2-(pyridin-4-ylmethylamino)purin-9-yl]methyl]phenyl]methanol;4-amino-7-[[4-(chloromethyl)phenyl]methyl]-2-(pyridin-4-ylmethylamino)-5H-pyrrolo[2,3-d]pyrimidin-6-one;[4-[(6-amino-2-chloropurin-9-yl)methyl]phenyl]methanol;4-amino-7-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(pyridin-4-ylmethylamino)-5H-pyrrolo[2,3-d]pyrimidin-6-one;[4-[[6-amino-8-methoxy-2-(pyridin-4-ylmethylamino)purin-9-yl]methyl]phenyl]methanol;[4-[[6-amino-2-(pyridin-4-ylmethylamino)purin-9-yl]methyl]phenyl]methanol;2,6-dichloro-7H-purine.

Molecular Properties

• Compound Name: [4-[[6-amino-8-bromo-2-(pyridin-4-ylmethylamino)purin-9-yl]methyl]phenyl]methanol;4-amino-7-[[4-(chloromethyl)phenyl]methyl]-2-(pyridin-4-ylmethylamino)-5H-pyrrolo[2,3-d]pyrimidin-6-one;[4-[(6-amino-2-chloropurin-9-yl)methyl]phenyl]methanol;4-amino-7-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(pyridin-4-ylmethylamino)-5H-pyrrolo[2,3-d]pyrimidin-6-one;[4-[[6-amino-8-methoxy-2-(pyridin-4-ylmethylamino)purin-9-yl]methyl]phenyl]methanol;[4-[[6-amino-2-(pyridin-4-ylmethylamino)purin-9-yl]methyl]phenyl]methanol;2,6-dichloro-7H-purine
• PubChem CID: 161076891
• Molecular Formula: C118H116BrCl4N43O7
• Molecular Weight: 2470.24 g/mol
• Exact Mass: 2465.80
• IUPAC Name: [4-[[6-amino-8-bromo-2-(pyridin-4-ylmethylamino)purin-9-yl]methyl]phenyl]methanol;4-amino-7-[[4-(chloromethyl)phenyl]methyl]-2-(pyridin-4-ylmethylamino)-5H-pyrrolo[2,3-d]pyrimidin-6-one;[4-[(6-amino-2-chloropurin-9-yl)methyl]phenyl]methanol;4-amino-7-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(pyridin-4-ylmethylamino)-5H-pyrrolo[2,3-d]pyrimidin-6-one;[4-[[6-amino-8-methoxy-2-(pyridin-4-ylmethylamino)purin-9-yl]methyl]phenyl]methanol;[4-[[6-amino-2-(pyridin-4-ylmethylamino)purin-9-yl]methyl]phenyl]methanol;2,6-dichloro-7H-purine
• SMILES: CN(C)Cc1ccc(CN2C(=O)Cc3c(N)nc(NCc4ccncc4)nc32)cc1.COc1nc2c(N)nc(NCc3ccncc3)nc2n1Cc1ccc(CO)cc1.Clc1nc(Cl)c2[nH]cnc2n1.Nc1nc(Cl)nc2c1ncn2Cc1ccc(CO)cc1.Nc1nc(NCc2ccncc2)nc2c1CC(=O)N2Cc1ccc(CCl)cc1.Nc1nc(NCc2ccncc2)nc2c1nc(Br)n2Cc1ccc(CO)cc1.Nc1nc(NCc2ccncc2)nc2c1ncn2Cc1ccc(CO)cc1
• InChI: InChI=1S/C22H25N7O.C20H19ClN6O.C20H21N7O2.C19H18BrN7O.C19H19N7O.C13H12ClN5O.C5H2Cl2N4/c1-28(2)13-16-3-5-17(6-4-16)14-29-19(30)11-18-20(23)26-22(27-21(18)29)25-12-15-7-9-24-10-8-15;21-10-13-1-3-15(4-2-13)12-27-17(28)9-16-18(22)25-20(26-19(16)27)24-11-14-5-7-23-8-6-14;1-29-20-24-16-17(21)25-19(23-10-13-6-8-22-9-7-13)26-18(16)27(20)11-14-2-4-15(12-28)5-3-14;20-18-24-15-16(21)25-19(23-9-12-5-7-22-8-6-12)26-17(15)27(18)10-13-1-3-14(11-28)4-2-13;20-17-16-18(25-19(24-17)22-9-13-5-7-21-8-6-13)26(12-23-16)10-14-1-3-15(11-27)4-2-14;14-13-17-11(15)10-12(18-13)19(7-16-10)5-8-1-3-9(6-20)4-2-8;6-3-2-4(9-1-8-2)11-5(7)10-3/h3-10H,11-14H2,1-2H3,(H3,23,25,26,27);1-8H,9-12H2,(H3,22,24,25,26);2-9,28H,10-12H2,1H3,(H3,21,23,25,26);1-8,28H,9-11H2,(H3,21,23,25,26);1-8,12,27H,9-11H2,(H3,20,22,24,25);1-4,7,20H,5-6H2,(H2,15,17,18);1H,(H,8,9,10,11)
• InChIKey: UFJYXDBTTLUFLL-UHFFFAOYSA-N
• XLogP: 15.01
• TPSA: 695.15 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 47
• Rotatable Bonds: 35
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2470.24
LogP ≤ 5	15.01
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	47

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-[[6-amino-8-bromo-2-(pyridin-4-ylmethylamino)purin-9-yl]methyl]phenyl]methanol;4-amino-7-[[4-(chloromethyl)phenyl]methyl]-2-(pyridin-4-ylmethylamino)-5H-pyrrolo[2,3-d]pyrimidin-6-one;[4-[(6-amino-2-chloropurin-9-yl)methyl]phenyl]methanol;4-amino-7-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(pyridin-4-ylmethylamino)-5H-pyrrolo[2,3-d]pyrimidin-6-one;[4-[[6-amino-8-methoxy-2-(pyridin-4-ylmethylamino)purin-9-yl]methyl]phenyl]methanol;[4-[[6-amino-2-(pyridin-4-ylmethylamino)purin-9-yl]methyl]phenyl]methanol;2,6-dichloro-7H-purine?

The IUPAC name of [4-[[6-amino-8-bromo-2-(pyridin-4-ylmethylamino)purin-9-yl]methyl]phenyl]methanol;4-amino-7-[[4-(chloromethyl)phenyl]methyl]-2-(pyridin-4-ylmethylamino)-5H-pyrrolo[2,3-d]pyrimidin-6-one;[4-[(6-amino-2-chloropurin-9-yl)methyl]phenyl]methanol;4-amino-7-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(pyridin-4-ylmethylamino)-5H-pyrrolo[2,3-d]pyrimidin-6-one;[4-[[6-amino-8-methoxy-2-(pyridin-4-ylmethylamino)purin-9-yl]methyl]phenyl]methanol;[4-[[6-amino-2-(pyridin-4-ylmethylamino)purin-9-yl]methyl]phenyl]methanol;2,6-dichloro-7H-purine (CID 161076891) is [4-[[6-amino-8-bromo-2-(pyridin-4-ylmethylamino)purin-9-yl]methyl]phenyl]methanol;4-amino-7-[[4-(chloromethyl)phenyl]methyl]-2-(pyridin-4-ylmethylamino)-5H-pyrrolo[2,3-d]pyrimidin-6-one;[4-[(6-amino-2-chloropurin-9-yl)methyl]phenyl]methanol;4-amino-7-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(pyridin-4-ylmethylamino)-5H-pyrrolo[2,3-d]pyrimidin-6-one;[4-[[6-amino-8-methoxy-2-(pyridin-4-ylmethylamino)purin-9-yl]methyl]phenyl]methanol;[4-[[6-amino-2-(pyridin-4-ylmethylamino)purin-9-yl]methyl]phenyl]methanol;2,6-dichloro-7H-purine.

What is the SMILES notation for [4-[[6-amino-8-bromo-2-(pyridin-4-ylmethylamino)purin-9-yl]methyl]phenyl]methanol;4-amino-7-[[4-(chloromethyl)phenyl]methyl]-2-(pyridin-4-ylmethylamino)-5H-pyrrolo[2,3-d]pyrimidin-6-one;[4-[(6-amino-2-chloropurin-9-yl)methyl]phenyl]methanol;4-amino-7-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(pyridin-4-ylmethylamino)-5H-pyrrolo[2,3-d]pyrimidin-6-one;[4-[[6-amino-8-methoxy-2-(pyridin-4-ylmethylamino)purin-9-yl]methyl]phenyl]methanol;[4-[[6-amino-2-(pyridin-4-ylmethylamino)purin-9-yl]methyl]phenyl]methanol;2,6-dichloro-7H-purine?

The canonical SMILES for [4-[[6-amino-8-bromo-2-(pyridin-4-ylmethylamino)purin-9-yl]methyl]phenyl]methanol;4-amino-7-[[4-(chloromethyl)phenyl]methyl]-2-(pyridin-4-ylmethylamino)-5H-pyrrolo[2,3-d]pyrimidin-6-one;[4-[(6-amino-2-chloropurin-9-yl)methyl]phenyl]methanol;4-amino-7-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(pyridin-4-ylmethylamino)-5H-pyrrolo[2,3-d]pyrimidin-6-one;[4-[[6-amino-8-methoxy-2-(pyridin-4-ylmethylamino)purin-9-yl]methyl]phenyl]methanol;[4-[[6-amino-2-(pyridin-4-ylmethylamino)purin-9-yl]methyl]phenyl]methanol;2,6-dichloro-7H-purine is CN(C)Cc1ccc(CN2C(=O)Cc3c(N)nc(NCc4ccncc4)nc32)cc1.COc1nc2c(N)nc(NCc3ccncc3)nc2n1Cc1ccc(CO)cc1.Clc1nc(Cl)c2[nH]cnc2n1.Nc1nc(Cl)nc2c1ncn2Cc1ccc(CO)cc1.Nc1nc(NCc2ccncc2)nc2c1CC(=O)N2Cc1ccc(CCl)cc1.Nc1nc(NCc2ccncc2)nc2c1nc(Br)n2Cc1ccc(CO)cc1.Nc1nc(NCc2ccncc2)nc2c1ncn2Cc1ccc(CO)cc1.

What is the InChIKey of [4-[[6-amino-8-bromo-2-(pyridin-4-ylmethylamino)purin-9-yl]methyl]phenyl]methanol;4-amino-7-[[4-(chloromethyl)phenyl]methyl]-2-(pyridin-4-ylmethylamino)-5H-pyrrolo[2,3-d]pyrimidin-6-one;[4-[(6-amino-2-chloropurin-9-yl)methyl]phenyl]methanol;4-amino-7-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(pyridin-4-ylmethylamino)-5H-pyrrolo[2,3-d]pyrimidin-6-one;[4-[[6-amino-8-methoxy-2-(pyridin-4-ylmethylamino)purin-9-yl]methyl]phenyl]methanol;[4-[[6-amino-2-(pyridin-4-ylmethylamino)purin-9-yl]methyl]phenyl]methanol;2,6-dichloro-7H-purine?

The InChIKey is UFJYXDBTTLUFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O.C20H19ClN6O.C20H21N7O2.C19H18BrN7O.C19H19N7O.C13H12ClN5O.C5H2Cl2N4/c1-28(2)13-16-3-5-17(6-4-16)14-29-19(30)11-18-20(23)26-22(27-21(18)29)25-12-15-7-9-24-10-8-15;21-10-13-1-3-15(4-2-13)12-27-17(28)9-16-18(22)25-20(26-19(16)27)24-11-14-5-7-23-8-6-14;1-29-20-24-16-17(21)25-19(23-10-13-6-8-22-9-7-13)26-18(16)27(20)11-14-2-4-15(12-28)5-3-14;20-18-24-15-16(21)25-19(23-9-12-5-7-22-8-6-12)26-17(15)27(18)10-13-1-3-14(11-28)4-2-13;20-17-16-18(25-19(24-17)22-9-13-5-7-21-8-6-13)26(12-23-16)10-14-1-3-15(11-27)4-2-14;14-13-17-11(15)10-12(18-13)19(7-16-10)5-8-1-3-9(6-20)4-2-8;6-3-2-4(9-1-8-2)11-5(7)10-3/h3-10H,11-14H2,1-2H3,(H3,23,25,26,27);1-8H,9-12H2,(H3,22,24,25,26);2-9,28H,10-12H2,1H3,(H3,21,23,25,26);1-8,28H,9-11H2,(H3,21,23,25,26);1-8,12,27H,9-11H2,(H3,20,22,24,25);1-4,7,20H,5-6H2,(H2,15,17,18);1H,(H,8,9,10,11).

What are the key properties of [4-[[6-amino-8-bromo-2-(pyridin-4-ylmethylamino)purin-9-yl]methyl]phenyl]methanol;4-amino-7-[[4-(chloromethyl)phenyl]methyl]-2-(pyridin-4-ylmethylamino)-5H-pyrrolo[2,3-d]pyrimidin-6-one;[4-[(6-amino-2-chloropurin-9-yl)methyl]phenyl]methanol;4-amino-7-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(pyridin-4-ylmethylamino)-5H-pyrrolo[2,3-d]pyrimidin-6-one;[4-[[6-amino-8-methoxy-2-(pyridin-4-ylmethylamino)purin-9-yl]methyl]phenyl]methanol;[4-[[6-amino-2-(pyridin-4-ylmethylamino)purin-9-yl]methyl]phenyl]methanol;2,6-dichloro-7H-purine?

[4-[[6-amino-8-bromo-2-(pyridin-4-ylmethylamino)purin-9-yl]methyl]phenyl]methanol;4-amino-7-[[4-(chloromethyl)phenyl]methyl]-2-(pyridin-4-ylmethylamino)-5H-pyrrolo[2,3-d]pyrimidin-6-one;[4-[(6-amino-2-chloropurin-9-yl)methyl]phenyl]methanol;4-amino-7-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(pyridin-4-ylmethylamino)-5H-pyrrolo[2,3-d]pyrimidin-6-one;[4-[[6-amino-8-methoxy-2-(pyridin-4-ylmethylamino)purin-9-yl]methyl]phenyl]methanol;[4-[[6-amino-2-(pyridin-4-ylmethylamino)purin-9-yl]methyl]phenyl]methanol;2,6-dichloro-7H-purine has a molecular weight of 2470.24 g/mol, XLogP of 15.01, 35 rotatable bonds, 16 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[[6-amino-8-bromo-2-(pyridin-4-ylmethylamino)purin-9-yl]methyl]phenyl]methanol;4-amino-7-[[4-(chloromethyl)phenyl]methyl]-2-(pyridin-4-ylmethylamino)-5H-pyrrolo[2,3-d]pyrimidin-6-one;[4-[(6-amino-2-chloropurin-9-yl)methyl]phenyl]methanol;4-amino-7-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(pyridin-4-ylmethylamino)-5H-pyrrolo[2,3-d]pyrimidin-6-one;[4-[[6-amino-8-methoxy-2-(pyridin-4-ylmethylamino)purin-9-yl]methyl]phenyl]methanol;[4-[[6-amino-2-(pyridin-4-ylmethylamino)purin-9-yl]methyl]phenyl]methanol;2,6-dichloro-7H-purine is sourced from PubChem (CID 161076891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).