9-[2-[[(3-chloro-4-methoxyphenyl)methoxy-methylphosphoryl]methoxy]ethyl]-6-methoxypurin-2-amine;9-[2-[[(3-chlorophenyl)methoxy-methylphosphoryl]methoxy]ethyl]-6-methoxypurin-2-amine;9-[2-[[(3-fluorophenyl)methoxy-methylphosphoryl]methoxy]ethyl]-6-methoxypurin-2-amine;6-methoxy-9-[2-[[methyl(pyridin-3-ylmethoxy)phosphoryl]methoxy]ethyl]purin-2-amine

C68H86Cl2FN21O17P4 — CID 159104981

About 9-[2-[[(3-chloro-4-methoxyphenyl)methoxy-methylphosphoryl]methoxy]ethyl]-6-methoxypurin-2-amine;9-[2-[[(3-chlorophenyl)methoxy-methylphosphoryl]methoxy]ethyl]-6-methoxypurin-2-amine;9-[2-[[(3-fluorophenyl)methoxy-methylphosphoryl]methoxy]ethyl]-6-methoxypurin-2-amine;6-methoxy-9-[2-[[methyl(pyridin-3-ylmethoxy)phosphoryl]methoxy]ethyl]purin-2-amine

9-[2-[[(3-chloro-4-methoxyphenyl)methoxy-methylphosphoryl]methoxy]ethyl]-6-methoxypurin-2-amine;9-[2-[[(3-chlorophenyl)methoxy-methylphosphoryl]methoxy]ethyl]-6-methoxypurin-2-amine;9-[2-[[(3-fluorophenyl)methoxy-methylphosphoryl]methoxy]ethyl]-6-methoxypurin-2-amine;6-methoxy-9-[2-[[methyl(pyridin-3-ylmethoxy)phosphoryl]methoxy]ethyl]purin-2-amine (PubChem CID 159104981) has the molecular formula C68H86Cl2FN21O17P4 and a molecular weight of 1683.37 g/mol. Its IUPAC name is 9-[2-[[(3-chloro-4-methoxyphenyl)methoxy-methylphosphoryl]methoxy]ethyl]-6-methoxypurin-2-amine;9-[2-[[(3-chlorophenyl)methoxy-methylphosphoryl]methoxy]ethyl]-6-methoxypurin-2-amine;9-[2-[[(3-fluorophenyl)methoxy-methylphosphoryl]methoxy]ethyl]-6-methoxypurin-2-amine;6-methoxy-9-[2-[[methyl(pyridin-3-ylmethoxy)phosphoryl]methoxy]ethyl]purin-2-amine.

Molecular Properties

• Compound Name: 9-[2-[[(3-chloro-4-methoxyphenyl)methoxy-methylphosphoryl]methoxy]ethyl]-6-methoxypurin-2-amine;9-[2-[[(3-chlorophenyl)methoxy-methylphosphoryl]methoxy]ethyl]-6-methoxypurin-2-amine;9-[2-[[(3-fluorophenyl)methoxy-methylphosphoryl]methoxy]ethyl]-6-methoxypurin-2-amine;6-methoxy-9-[2-[[methyl(pyridin-3-ylmethoxy)phosphoryl]methoxy]ethyl]purin-2-amine
• PubChem CID: 159104981
• Molecular Formula: C68H86Cl2FN21O17P4
• Molecular Weight: 1683.37 g/mol
• Exact Mass: 1681.48
• IUPAC Name: 9-[2-[[(3-chloro-4-methoxyphenyl)methoxy-methylphosphoryl]methoxy]ethyl]-6-methoxypurin-2-amine;9-[2-[[(3-chlorophenyl)methoxy-methylphosphoryl]methoxy]ethyl]-6-methoxypurin-2-amine;9-[2-[[(3-fluorophenyl)methoxy-methylphosphoryl]methoxy]ethyl]-6-methoxypurin-2-amine;6-methoxy-9-[2-[[methyl(pyridin-3-ylmethoxy)phosphoryl]methoxy]ethyl]purin-2-amine
• SMILES: COc1ccc(COP(C)(=O)COCCn2cnc3c(OC)nc(N)nc32)cc1Cl.COc1nc(N)nc2c1ncn2CCOCP(C)(=O)OCc1cccc(Cl)c1.COc1nc(N)nc2c1ncn2CCOCP(C)(=O)OCc1cccc(F)c1.COc1nc(N)nc2c1ncn2CCOCP(C)(=O)OCc1cccnc1
• InChI: InChI=1S/C18H23ClN5O5P.C17H21ClN5O4P.C17H21FN5O4P.C16H21N6O4P/c1-26-14-5-4-12(8-13(14)19)9-29-30(3,25)11-28-7-6-24-10-21-15-16(24)22-18(20)23-17(15)27-2;2*1-25-16-14-15(21-17(19)22-16)23(10-20-14)6-7-26-11-28(2,24)27-9-12-4-3-5-13(18)8-12;1-24-15-13-14(20-16(17)21-15)22(10-19-13)6-7-25-11-27(2,23)26-9-12-4-3-5-18-8-12/h4-5,8,10H,6-7,9,11H2,1-3H3,(H2,20,22,23);2*3-5,8,10H,6-7,9,11H2,1-2H3,(H2,19,21,22);3-5,8,10H,6-7,9,11H2,1-2H3,(H2,17,20,21)
• InChIKey: KDTNJDKQIZNHDL-UHFFFAOYSA-N
• XLogP: 10.91
• TPSA: 479.64 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 38
• Rotatable Bonds: 37
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1683.37
LogP ≤ 5	10.91
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-[2-[[(3-chloro-4-methoxyphenyl)methoxy-methylphosphoryl]methoxy]ethyl]-6-methoxypurin-2-amine;9-[2-[[(3-chlorophenyl)methoxy-methylphosphoryl]methoxy]ethyl]-6-methoxypurin-2-amine;9-[2-[[(3-fluorophenyl)methoxy-methylphosphoryl]methoxy]ethyl]-6-methoxypurin-2-amine;6-methoxy-9-[2-[[methyl(pyridin-3-ylmethoxy)phosphoryl]methoxy]ethyl]purin-2-amine?

The IUPAC name of 9-[2-[[(3-chloro-4-methoxyphenyl)methoxy-methylphosphoryl]methoxy]ethyl]-6-methoxypurin-2-amine;9-[2-[[(3-chlorophenyl)methoxy-methylphosphoryl]methoxy]ethyl]-6-methoxypurin-2-amine;9-[2-[[(3-fluorophenyl)methoxy-methylphosphoryl]methoxy]ethyl]-6-methoxypurin-2-amine;6-methoxy-9-[2-[[methyl(pyridin-3-ylmethoxy)phosphoryl]methoxy]ethyl]purin-2-amine (CID 159104981) is 9-[2-[[(3-chloro-4-methoxyphenyl)methoxy-methylphosphoryl]methoxy]ethyl]-6-methoxypurin-2-amine;9-[2-[[(3-chlorophenyl)methoxy-methylphosphoryl]methoxy]ethyl]-6-methoxypurin-2-amine;9-[2-[[(3-fluorophenyl)methoxy-methylphosphoryl]methoxy]ethyl]-6-methoxypurin-2-amine;6-methoxy-9-[2-[[methyl(pyridin-3-ylmethoxy)phosphoryl]methoxy]ethyl]purin-2-amine.

What is the SMILES notation for 9-[2-[[(3-chloro-4-methoxyphenyl)methoxy-methylphosphoryl]methoxy]ethyl]-6-methoxypurin-2-amine;9-[2-[[(3-chlorophenyl)methoxy-methylphosphoryl]methoxy]ethyl]-6-methoxypurin-2-amine;9-[2-[[(3-fluorophenyl)methoxy-methylphosphoryl]methoxy]ethyl]-6-methoxypurin-2-amine;6-methoxy-9-[2-[[methyl(pyridin-3-ylmethoxy)phosphoryl]methoxy]ethyl]purin-2-amine?

The canonical SMILES for 9-[2-[[(3-chloro-4-methoxyphenyl)methoxy-methylphosphoryl]methoxy]ethyl]-6-methoxypurin-2-amine;9-[2-[[(3-chlorophenyl)methoxy-methylphosphoryl]methoxy]ethyl]-6-methoxypurin-2-amine;9-[2-[[(3-fluorophenyl)methoxy-methylphosphoryl]methoxy]ethyl]-6-methoxypurin-2-amine;6-methoxy-9-[2-[[methyl(pyridin-3-ylmethoxy)phosphoryl]methoxy]ethyl]purin-2-amine is COc1ccc(COP(C)(=O)COCCn2cnc3c(OC)nc(N)nc32)cc1Cl.COc1nc(N)nc2c1ncn2CCOCP(C)(=O)OCc1cccc(Cl)c1.COc1nc(N)nc2c1ncn2CCOCP(C)(=O)OCc1cccc(F)c1.COc1nc(N)nc2c1ncn2CCOCP(C)(=O)OCc1cccnc1.

What is the InChIKey of 9-[2-[[(3-chloro-4-methoxyphenyl)methoxy-methylphosphoryl]methoxy]ethyl]-6-methoxypurin-2-amine;9-[2-[[(3-chlorophenyl)methoxy-methylphosphoryl]methoxy]ethyl]-6-methoxypurin-2-amine;9-[2-[[(3-fluorophenyl)methoxy-methylphosphoryl]methoxy]ethyl]-6-methoxypurin-2-amine;6-methoxy-9-[2-[[methyl(pyridin-3-ylmethoxy)phosphoryl]methoxy]ethyl]purin-2-amine?

The InChIKey is KDTNJDKQIZNHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN5O5P.C17H21ClN5O4P.C17H21FN5O4P.C16H21N6O4P/c1-26-14-5-4-12(8-13(14)19)9-29-30(3,25)11-28-7-6-24-10-21-15-16(24)22-18(20)23-17(15)27-2;2*1-25-16-14-15(21-17(19)22-16)23(10-20-14)6-7-26-11-28(2,24)27-9-12-4-3-5-13(18)8-12;1-24-15-13-14(20-16(17)21-15)22(10-19-13)6-7-25-11-27(2,23)26-9-12-4-3-5-18-8-12/h4-5,8,10H,6-7,9,11H2,1-3H3,(H2,20,22,23);2*3-5,8,10H,6-7,9,11H2,1-2H3,(H2,19,21,22);3-5,8,10H,6-7,9,11H2,1-2H3,(H2,17,20,21).

What are the key properties of 9-[2-[[(3-chloro-4-methoxyphenyl)methoxy-methylphosphoryl]methoxy]ethyl]-6-methoxypurin-2-amine;9-[2-[[(3-chlorophenyl)methoxy-methylphosphoryl]methoxy]ethyl]-6-methoxypurin-2-amine;9-[2-[[(3-fluorophenyl)methoxy-methylphosphoryl]methoxy]ethyl]-6-methoxypurin-2-amine;6-methoxy-9-[2-[[methyl(pyridin-3-ylmethoxy)phosphoryl]methoxy]ethyl]purin-2-amine?

9-[2-[[(3-chloro-4-methoxyphenyl)methoxy-methylphosphoryl]methoxy]ethyl]-6-methoxypurin-2-amine;9-[2-[[(3-chlorophenyl)methoxy-methylphosphoryl]methoxy]ethyl]-6-methoxypurin-2-amine;9-[2-[[(3-fluorophenyl)methoxy-methylphosphoryl]methoxy]ethyl]-6-methoxypurin-2-amine;6-methoxy-9-[2-[[methyl(pyridin-3-ylmethoxy)phosphoryl]methoxy]ethyl]purin-2-amine has a molecular weight of 1683.37 g/mol, XLogP of 10.91, 37 rotatable bonds, 4 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[2-[[(3-chloro-4-methoxyphenyl)methoxy-methylphosphoryl]methoxy]ethyl]-6-methoxypurin-2-amine;9-[2-[[(3-chlorophenyl)methoxy-methylphosphoryl]methoxy]ethyl]-6-methoxypurin-2-amine;9-[2-[[(3-fluorophenyl)methoxy-methylphosphoryl]methoxy]ethyl]-6-methoxypurin-2-amine;6-methoxy-9-[2-[[methyl(pyridin-3-ylmethoxy)phosphoryl]methoxy]ethyl]purin-2-amine is sourced from PubChem (CID 159104981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).