9-[2-[[(3-chloro-4-methoxyphenyl)methoxy-methylphosphoryl]methoxy]ethyl]-6-methoxy-3,6-dihydropurin-2-amine;9-[2-[[(3-chlorophenyl)methoxy-methylphosphoryl]methoxy]ethyl]-6-methoxy-3,6-dihydropurin-2-amine;9-[2-[[(3-fluoro-4-methoxyphenyl)methoxy-methylphosphoryl]methoxy]ethyl]-6-methoxy-3,6-dihydropurin-2-amine;6-methoxy-9-[2-[[methyl-[(4-methylphenyl)methoxy]phosphoryl]methoxy]ethyl]-3,6-dihydropurin-2-amine

C71H99Cl2FN20O18P4 — CID 159078450

About 9-[2-[[(3-chloro-4-methoxyphenyl)methoxy-methylphosphoryl]methoxy]ethyl]-6-methoxy-3,6-dihydropurin-2-amine;9-[2-[[(3-chlorophenyl)methoxy-methylphosphoryl]methoxy]ethyl]-6-methoxy-3,6-dihydropurin-2-amine;9-[2-[[(3-fluoro-4-methoxyphenyl)methoxy-methylphosphoryl]methoxy]ethyl]-6-methoxy-3,6-dihydropurin-2-amine;6-methoxy-9-[2-[[methyl-[(4-methylphenyl)methoxy]phosphoryl]methoxy]ethyl]-3,6-dihydropurin-2-amine

9-[2-[[(3-chloro-4-methoxyphenyl)methoxy-methylphosphoryl]methoxy]ethyl]-6-methoxy-3,6-dihydropurin-2-amine;9-[2-[[(3-chlorophenyl)methoxy-methylphosphoryl]methoxy]ethyl]-6-methoxy-3,6-dihydropurin-2-amine;9-[2-[[(3-fluoro-4-methoxyphenyl)methoxy-methylphosphoryl]methoxy]ethyl]-6-methoxy-3,6-dihydropurin-2-amine;6-methoxy-9-[2-[[methyl-[(4-methylphenyl)methoxy]phosphoryl]methoxy]ethyl]-3,6-dihydropurin-2-amine (PubChem CID 159078450) has the molecular formula C71H99Cl2FN20O18P4 and a molecular weight of 1734.49 g/mol. Its IUPAC name is 9-[2-[[(3-chloro-4-methoxyphenyl)methoxy-methylphosphoryl]methoxy]ethyl]-6-methoxy-3,6-dihydropurin-2-amine;9-[2-[[(3-chlorophenyl)methoxy-methylphosphoryl]methoxy]ethyl]-6-methoxy-3,6-dihydropurin-2-amine;9-[2-[[(3-fluoro-4-methoxyphenyl)methoxy-methylphosphoryl]methoxy]ethyl]-6-methoxy-3,6-dihydropurin-2-amine;6-methoxy-9-[2-[[methyl-[(4-methylphenyl)methoxy]phosphoryl]methoxy]ethyl]-3,6-dihydropurin-2-amine.

Molecular Properties

• Compound Name: 9-[2-[[(3-chloro-4-methoxyphenyl)methoxy-methylphosphoryl]methoxy]ethyl]-6-methoxy-3,6-dihydropurin-2-amine;9-[2-[[(3-chlorophenyl)methoxy-methylphosphoryl]methoxy]ethyl]-6-methoxy-3,6-dihydropurin-2-amine;9-[2-[[(3-fluoro-4-methoxyphenyl)methoxy-methylphosphoryl]methoxy]ethyl]-6-methoxy-3,6-dihydropurin-2-amine;6-methoxy-9-[2-[[methyl-[(4-methylphenyl)methoxy]phosphoryl]methoxy]ethyl]-3,6-dihydropurin-2-amine
• PubChem CID: 159078450
• Molecular Formula: C71H99Cl2FN20O18P4
• Molecular Weight: 1734.49 g/mol
• Exact Mass: 1732.58
• IUPAC Name: 9-[2-[[(3-chloro-4-methoxyphenyl)methoxy-methylphosphoryl]methoxy]ethyl]-6-methoxy-3,6-dihydropurin-2-amine;9-[2-[[(3-chlorophenyl)methoxy-methylphosphoryl]methoxy]ethyl]-6-methoxy-3,6-dihydropurin-2-amine;9-[2-[[(3-fluoro-4-methoxyphenyl)methoxy-methylphosphoryl]methoxy]ethyl]-6-methoxy-3,6-dihydropurin-2-amine;6-methoxy-9-[2-[[methyl-[(4-methylphenyl)methoxy]phosphoryl]methoxy]ethyl]-3,6-dihydropurin-2-amine
• SMILES: COC1N=C(N)Nc2c1ncn2CCOCP(C)(=O)OCc1ccc(C)cc1.COC1N=C(N)Nc2c1ncn2CCOCP(C)(=O)OCc1cccc(Cl)c1.COc1ccc(COP(C)(=O)COCCn2cnc3c2NC(N)=NC3OC)cc1Cl.COc1ccc(COP(C)(=O)COCCn2cnc3c2NC(N)=NC3OC)cc1F
• InChI: InChI=1S/C18H25ClN5O5P.C18H25FN5O5P.C18H26N5O4P.C17H23ClN5O4P/c2*1-26-14-5-4-12(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;1-13-4-6-14(7-5-13)10-27-28(3,24)12-26-9-8-23-11-20-15-16(23)21-18(19)22-17(15)25-2;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/h2*4-5,8,10,17H,6-7,9,11H2,1-3H3,(H3,20,22,23);4-7,11,17H,8-10,12H2,1-3H3,(H3,19,21,22);3-5,8,10,16H,6-7,9,11H2,1-2H3,(H3,19,21,22)
• InChIKey: KANVVLUFQDPGEK-UHFFFAOYSA-N
• XLogP: 11.24
• TPSA: 470.42 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 38
• Rotatable Bonds: 38
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1734.49
LogP ≤ 5	11.24
H-Bond Donors ≤ 5	8
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-methoxy-3,6-dihydropurin-2-amine;9-[2-[[(3-chlorophenyl)methoxy-methylphosphoryl]methoxy]ethyl]-6-methoxy-3,6-dihydropurin-2-amine;9-[2-[[(3-fluoro-4-methoxyphenyl)methoxy-methylphosphoryl]methoxy]ethyl]-6-methoxy-3,6-dihydropurin-2-amine;6-methoxy-9-[2-[[methyl-[(4-methylphenyl)methoxy]phosphoryl]methoxy]ethyl]-3,6-dihydropurin-2-amine?

The IUPAC name of 9-[2-[[(3-chloro-4-methoxyphenyl)methoxy-methylphosphoryl]methoxy]ethyl]-6-methoxy-3,6-dihydropurin-2-amine;9-[2-[[(3-chlorophenyl)methoxy-methylphosphoryl]methoxy]ethyl]-6-methoxy-3,6-dihydropurin-2-amine;9-[2-[[(3-fluoro-4-methoxyphenyl)methoxy-methylphosphoryl]methoxy]ethyl]-6-methoxy-3,6-dihydropurin-2-amine;6-methoxy-9-[2-[[methyl-[(4-methylphenyl)methoxy]phosphoryl]methoxy]ethyl]-3,6-dihydropurin-2-amine (CID 159078450) is 9-[2-[[(3-chloro-4-methoxyphenyl)methoxy-methylphosphoryl]methoxy]ethyl]-6-methoxy-3,6-dihydropurin-2-amine;9-[2-[[(3-chlorophenyl)methoxy-methylphosphoryl]methoxy]ethyl]-6-methoxy-3,6-dihydropurin-2-amine;9-[2-[[(3-fluoro-4-methoxyphenyl)methoxy-methylphosphoryl]methoxy]ethyl]-6-methoxy-3,6-dihydropurin-2-amine;6-methoxy-9-[2-[[methyl-[(4-methylphenyl)methoxy]phosphoryl]methoxy]ethyl]-3,6-dihydropurin-2-amine.

What is the SMILES notation for 9-[2-[[(3-chloro-4-methoxyphenyl)methoxy-methylphosphoryl]methoxy]ethyl]-6-methoxy-3,6-dihydropurin-2-amine;9-[2-[[(3-chlorophenyl)methoxy-methylphosphoryl]methoxy]ethyl]-6-methoxy-3,6-dihydropurin-2-amine;9-[2-[[(3-fluoro-4-methoxyphenyl)methoxy-methylphosphoryl]methoxy]ethyl]-6-methoxy-3,6-dihydropurin-2-amine;6-methoxy-9-[2-[[methyl-[(4-methylphenyl)methoxy]phosphoryl]methoxy]ethyl]-3,6-dihydropurin-2-amine?

The canonical SMILES for 9-[2-[[(3-chloro-4-methoxyphenyl)methoxy-methylphosphoryl]methoxy]ethyl]-6-methoxy-3,6-dihydropurin-2-amine;9-[2-[[(3-chlorophenyl)methoxy-methylphosphoryl]methoxy]ethyl]-6-methoxy-3,6-dihydropurin-2-amine;9-[2-[[(3-fluoro-4-methoxyphenyl)methoxy-methylphosphoryl]methoxy]ethyl]-6-methoxy-3,6-dihydropurin-2-amine;6-methoxy-9-[2-[[methyl-[(4-methylphenyl)methoxy]phosphoryl]methoxy]ethyl]-3,6-dihydropurin-2-amine is COC1N=C(N)Nc2c1ncn2CCOCP(C)(=O)OCc1ccc(C)cc1.COC1N=C(N)Nc2c1ncn2CCOCP(C)(=O)OCc1cccc(Cl)c1.COc1ccc(COP(C)(=O)COCCn2cnc3c2NC(N)=NC3OC)cc1Cl.COc1ccc(COP(C)(=O)COCCn2cnc3c2NC(N)=NC3OC)cc1F.

What is the InChIKey of 9-[2-[[(3-chloro-4-methoxyphenyl)methoxy-methylphosphoryl]methoxy]ethyl]-6-methoxy-3,6-dihydropurin-2-amine;9-[2-[[(3-chlorophenyl)methoxy-methylphosphoryl]methoxy]ethyl]-6-methoxy-3,6-dihydropurin-2-amine;9-[2-[[(3-fluoro-4-methoxyphenyl)methoxy-methylphosphoryl]methoxy]ethyl]-6-methoxy-3,6-dihydropurin-2-amine;6-methoxy-9-[2-[[methyl-[(4-methylphenyl)methoxy]phosphoryl]methoxy]ethyl]-3,6-dihydropurin-2-amine?

The InChIKey is KANVVLUFQDPGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN5O5P.C18H25FN5O5P.C18H26N5O4P.C17H23ClN5O4P/c2*1-26-14-5-4-12(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;1-13-4-6-14(7-5-13)10-27-28(3,24)12-26-9-8-23-11-20-15-16(23)21-18(19)22-17(15)25-2;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/h2*4-5,8,10,17H,6-7,9,11H2,1-3H3,(H3,20,22,23);4-7,11,17H,8-10,12H2,1-3H3,(H3,19,21,22);3-5,8,10,16H,6-7,9,11H2,1-2H3,(H3,19,21,22).

What are the key properties of 9-[2-[[(3-chloro-4-methoxyphenyl)methoxy-methylphosphoryl]methoxy]ethyl]-6-methoxy-3,6-dihydropurin-2-amine;9-[2-[[(3-chlorophenyl)methoxy-methylphosphoryl]methoxy]ethyl]-6-methoxy-3,6-dihydropurin-2-amine;9-[2-[[(3-fluoro-4-methoxyphenyl)methoxy-methylphosphoryl]methoxy]ethyl]-6-methoxy-3,6-dihydropurin-2-amine;6-methoxy-9-[2-[[methyl-[(4-methylphenyl)methoxy]phosphoryl]methoxy]ethyl]-3,6-dihydropurin-2-amine?

9-[2-[[(3-chloro-4-methoxyphenyl)methoxy-methylphosphoryl]methoxy]ethyl]-6-methoxy-3,6-dihydropurin-2-amine;9-[2-[[(3-chlorophenyl)methoxy-methylphosphoryl]methoxy]ethyl]-6-methoxy-3,6-dihydropurin-2-amine;9-[2-[[(3-fluoro-4-methoxyphenyl)methoxy-methylphosphoryl]methoxy]ethyl]-6-methoxy-3,6-dihydropurin-2-amine;6-methoxy-9-[2-[[methyl-[(4-methylphenyl)methoxy]phosphoryl]methoxy]ethyl]-3,6-dihydropurin-2-amine has a molecular weight of 1734.49 g/mol, XLogP of 11.24, 38 rotatable bonds, 8 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-methoxy-3,6-dihydropurin-2-amine;9-[2-[[(3-chlorophenyl)methoxy-methylphosphoryl]methoxy]ethyl]-6-methoxy-3,6-dihydropurin-2-amine;9-[2-[[(3-fluoro-4-methoxyphenyl)methoxy-methylphosphoryl]methoxy]ethyl]-6-methoxy-3,6-dihydropurin-2-amine;6-methoxy-9-[2-[[methyl-[(4-methylphenyl)methoxy]phosphoryl]methoxy]ethyl]-3,6-dihydropurin-2-amine is sourced from PubChem (CID 159078450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).