2-[2-fluoro-5-[9-[6-(hydroxyamino)hept-6-enyl]-6-morpholin-4-ylpurin-2-yl]phenoxy]ethanol;2-fluoro-5-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]phenol;6-[2-(4-fluoro-3-hydroxyphenyl)-6-morpholin-4-ylpurin-9-yl]-N-methylhexanamide;4-[2-fluoro-5-(2-morpholin-4-yl-9-propylpurin-6-yl)phenoxy]-N-methylbutanamide;4-[2-fluoro-5-(9-propyl-2-pyrrolidin-1-ylpurin-6-yl)phenoxy]-N-methylbutanamide

C115H145F5N30O15 — CID 159729989

About 2-[2-fluoro-5-[9-[6-(hydroxyamino)hept-6-enyl]-6-morpholin-4-ylpurin-2-yl]phenoxy]ethanol;2-fluoro-5-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]phenol;6-[2-(4-fluoro-3-hydroxyphenyl)-6-morpholin-4-ylpurin-9-yl]-N-methylhexanamide;4-[2-fluoro-5-(2-morpholin-4-yl-9-propylpurin-6-yl)phenoxy]-N-methylbutanamide;4-[2-fluoro-5-(9-propyl-2-pyrrolidin-1-ylpurin-6-yl)phenoxy]-N-methylbutanamide

2-[2-fluoro-5-[9-[6-(hydroxyamino)hept-6-enyl]-6-morpholin-4-ylpurin-2-yl]phenoxy]ethanol;2-fluoro-5-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]phenol;6-[2-(4-fluoro-3-hydroxyphenyl)-6-morpholin-4-ylpurin-9-yl]-N-methylhexanamide;4-[2-fluoro-5-(2-morpholin-4-yl-9-propylpurin-6-yl)phenoxy]-N-methylbutanamide;4-[2-fluoro-5-(9-propyl-2-pyrrolidin-1-ylpurin-6-yl)phenoxy]-N-methylbutanamide (PubChem CID 159729989) has the molecular formula C115H145F5N30O15 and a molecular weight of 2282.61 g/mol. Its IUPAC name is 2-[2-fluoro-5-[9-[6-(hydroxyamino)hept-6-enyl]-6-morpholin-4-ylpurin-2-yl]phenoxy]ethanol;2-fluoro-5-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]phenol;6-[2-(4-fluoro-3-hydroxyphenyl)-6-morpholin-4-ylpurin-9-yl]-N-methylhexanamide;4-[2-fluoro-5-(2-morpholin-4-yl-9-propylpurin-6-yl)phenoxy]-N-methylbutanamide;4-[2-fluoro-5-(9-propyl-2-pyrrolidin-1-ylpurin-6-yl)phenoxy]-N-methylbutanamide.

Molecular Properties

• Compound Name: 2-[2-fluoro-5-[9-[6-(hydroxyamino)hept-6-enyl]-6-morpholin-4-ylpurin-2-yl]phenoxy]ethanol;2-fluoro-5-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]phenol;6-[2-(4-fluoro-3-hydroxyphenyl)-6-morpholin-4-ylpurin-9-yl]-N-methylhexanamide;4-[2-fluoro-5-(2-morpholin-4-yl-9-propylpurin-6-yl)phenoxy]-N-methylbutanamide;4-[2-fluoro-5-(9-propyl-2-pyrrolidin-1-ylpurin-6-yl)phenoxy]-N-methylbutanamide
• PubChem CID: 159729989
• Molecular Formula: C115H145F5N30O15
• Molecular Weight: 2282.61 g/mol
• Exact Mass: 2281.14
• IUPAC Name: 2-[2-fluoro-5-[9-[6-(hydroxyamino)hept-6-enyl]-6-morpholin-4-ylpurin-2-yl]phenoxy]ethanol;2-fluoro-5-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]phenol;6-[2-(4-fluoro-3-hydroxyphenyl)-6-morpholin-4-ylpurin-9-yl]-N-methylhexanamide;4-[2-fluoro-5-(2-morpholin-4-yl-9-propylpurin-6-yl)phenoxy]-N-methylbutanamide;4-[2-fluoro-5-(9-propyl-2-pyrrolidin-1-ylpurin-6-yl)phenoxy]-N-methylbutanamide
• SMILES: C=C(CCCCCCn1cnc2c(N3CCOCC3)nc(-c3ccc(F)c(O)c3)nc21)NO.C=C(CCCCCn1cnc2c(N3CCOCC3)nc(-c3ccc(F)c(OCCO)c3)nc21)NO.CCCn1cnc2c(-c3ccc(F)c(OCCCC(=O)NC)c3)nc(N3CCCC3)nc21.CCCn1cnc2c(-c3ccc(F)c(OCCCC(=O)NC)c3)nc(N3CCOCC3)nc21.CNC(=O)CCCCCn1cnc2c(N3CCOCC3)nc(-c3ccc(F)c(O)c3)nc21
• InChI: InChI=1S/C24H31FN6O4.2C23H29FN6O3.C23H29FN6O2.C22H27FN6O3/c1-17(29-33)5-3-2-4-8-31-16-26-21-23(30-9-12-34-13-10-30)27-22(28-24(21)31)18-6-7-19(25)20(15-18)35-14-11-32;1-16(28-32)6-4-2-3-5-9-30-15-25-20-22(29-10-12-33-13-11-29)26-21(27-23(20)30)17-7-8-18(24)19(31)14-17;1-3-8-30-15-26-21-20(27-23(28-22(21)30)29-9-12-32-13-10-29)16-6-7-17(24)18(14-16)33-11-4-5-19(31)25-2;1-3-10-30-15-26-21-20(27-23(28-22(21)30)29-11-4-5-12-29)16-8-9-17(24)18(14-16)32-13-6-7-19(31)25-2;1-24-18(31)5-3-2-4-8-29-14-25-19-21(28-9-11-32-12-10-28)26-20(27-22(19)29)15-6-7-16(23)17(30)13-15/h6-7,15-16,29,32-33H,1-5,8-14H2;7-8,14-15,28,31-32H,1-6,9-13H2;6-7,14-15H,3-5,8-13H2,1-2H3,(H,25,31);8-9,14-15H,3-7,10-13H2,1-2H3,(H,25,31);6-7,13-14,30H,2-5,8-12H2,1H3,(H,24,31)
• InChIKey: NBCSCBHLRHTNIC-UHFFFAOYSA-N
• XLogP: 15.32
• TPSA: 511.32 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 42
• Rotatable Bonds: 48
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2282.61
LogP ≤ 5	15.32
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-5-[9-[6-(hydroxyamino)hept-6-enyl]-6-morpholin-4-ylpurin-2-yl]phenoxy]ethanol;2-fluoro-5-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]phenol;6-[2-(4-fluoro-3-hydroxyphenyl)-6-morpholin-4-ylpurin-9-yl]-N-methylhexanamide;4-[2-fluoro-5-(2-morpholin-4-yl-9-propylpurin-6-yl)phenoxy]-N-methylbutanamide;4-[2-fluoro-5-(9-propyl-2-pyrrolidin-1-ylpurin-6-yl)phenoxy]-N-methylbutanamide?

The IUPAC name of 2-[2-fluoro-5-[9-[6-(hydroxyamino)hept-6-enyl]-6-morpholin-4-ylpurin-2-yl]phenoxy]ethanol;2-fluoro-5-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]phenol;6-[2-(4-fluoro-3-hydroxyphenyl)-6-morpholin-4-ylpurin-9-yl]-N-methylhexanamide;4-[2-fluoro-5-(2-morpholin-4-yl-9-propylpurin-6-yl)phenoxy]-N-methylbutanamide;4-[2-fluoro-5-(9-propyl-2-pyrrolidin-1-ylpurin-6-yl)phenoxy]-N-methylbutanamide (CID 159729989) is 2-[2-fluoro-5-[9-[6-(hydroxyamino)hept-6-enyl]-6-morpholin-4-ylpurin-2-yl]phenoxy]ethanol;2-fluoro-5-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]phenol;6-[2-(4-fluoro-3-hydroxyphenyl)-6-morpholin-4-ylpurin-9-yl]-N-methylhexanamide;4-[2-fluoro-5-(2-morpholin-4-yl-9-propylpurin-6-yl)phenoxy]-N-methylbutanamide;4-[2-fluoro-5-(9-propyl-2-pyrrolidin-1-ylpurin-6-yl)phenoxy]-N-methylbutanamide.

What is the SMILES notation for 2-[2-fluoro-5-[9-[6-(hydroxyamino)hept-6-enyl]-6-morpholin-4-ylpurin-2-yl]phenoxy]ethanol;2-fluoro-5-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]phenol;6-[2-(4-fluoro-3-hydroxyphenyl)-6-morpholin-4-ylpurin-9-yl]-N-methylhexanamide;4-[2-fluoro-5-(2-morpholin-4-yl-9-propylpurin-6-yl)phenoxy]-N-methylbutanamide;4-[2-fluoro-5-(9-propyl-2-pyrrolidin-1-ylpurin-6-yl)phenoxy]-N-methylbutanamide?

The canonical SMILES for 2-[2-fluoro-5-[9-[6-(hydroxyamino)hept-6-enyl]-6-morpholin-4-ylpurin-2-yl]phenoxy]ethanol;2-fluoro-5-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]phenol;6-[2-(4-fluoro-3-hydroxyphenyl)-6-morpholin-4-ylpurin-9-yl]-N-methylhexanamide;4-[2-fluoro-5-(2-morpholin-4-yl-9-propylpurin-6-yl)phenoxy]-N-methylbutanamide;4-[2-fluoro-5-(9-propyl-2-pyrrolidin-1-ylpurin-6-yl)phenoxy]-N-methylbutanamide is C=C(CCCCCCn1cnc2c(N3CCOCC3)nc(-c3ccc(F)c(O)c3)nc21)NO.C=C(CCCCCn1cnc2c(N3CCOCC3)nc(-c3ccc(F)c(OCCO)c3)nc21)NO.CCCn1cnc2c(-c3ccc(F)c(OCCCC(=O)NC)c3)nc(N3CCCC3)nc21.CCCn1cnc2c(-c3ccc(F)c(OCCCC(=O)NC)c3)nc(N3CCOCC3)nc21.CNC(=O)CCCCCn1cnc2c(N3CCOCC3)nc(-c3ccc(F)c(O)c3)nc21.

What is the InChIKey of 2-[2-fluoro-5-[9-[6-(hydroxyamino)hept-6-enyl]-6-morpholin-4-ylpurin-2-yl]phenoxy]ethanol;2-fluoro-5-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]phenol;6-[2-(4-fluoro-3-hydroxyphenyl)-6-morpholin-4-ylpurin-9-yl]-N-methylhexanamide;4-[2-fluoro-5-(2-morpholin-4-yl-9-propylpurin-6-yl)phenoxy]-N-methylbutanamide;4-[2-fluoro-5-(9-propyl-2-pyrrolidin-1-ylpurin-6-yl)phenoxy]-N-methylbutanamide?

The InChIKey is NBCSCBHLRHTNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN6O4.2C23H29FN6O3.C23H29FN6O2.C22H27FN6O3/c1-17(29-33)5-3-2-4-8-31-16-26-21-23(30-9-12-34-13-10-30)27-22(28-24(21)31)18-6-7-19(25)20(15-18)35-14-11-32;1-16(28-32)6-4-2-3-5-9-30-15-25-20-22(29-10-12-33-13-11-29)26-21(27-23(20)30)17-7-8-18(24)19(31)14-17;1-3-8-30-15-26-21-20(27-23(28-22(21)30)29-9-12-32-13-10-29)16-6-7-17(24)18(14-16)33-11-4-5-19(31)25-2;1-3-10-30-15-26-21-20(27-23(28-22(21)30)29-11-4-5-12-29)16-8-9-17(24)18(14-16)32-13-6-7-19(31)25-2;1-24-18(31)5-3-2-4-8-29-14-25-19-21(28-9-11-32-12-10-28)26-20(27-22(19)29)15-6-7-16(23)17(30)13-15/h6-7,15-16,29,32-33H,1-5,8-14H2;7-8,14-15,28,31-32H,1-6,9-13H2;6-7,14-15H,3-5,8-13H2,1-2H3,(H,25,31);8-9,14-15H,3-7,10-13H2,1-2H3,(H,25,31);6-7,13-14,30H,2-5,8-12H2,1H3,(H,24,31).

What are the key properties of 2-[2-fluoro-5-[9-[6-(hydroxyamino)hept-6-enyl]-6-morpholin-4-ylpurin-2-yl]phenoxy]ethanol;2-fluoro-5-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]phenol;6-[2-(4-fluoro-3-hydroxyphenyl)-6-morpholin-4-ylpurin-9-yl]-N-methylhexanamide;4-[2-fluoro-5-(2-morpholin-4-yl-9-propylpurin-6-yl)phenoxy]-N-methylbutanamide;4-[2-fluoro-5-(9-propyl-2-pyrrolidin-1-ylpurin-6-yl)phenoxy]-N-methylbutanamide?

2-[2-fluoro-5-[9-[6-(hydroxyamino)hept-6-enyl]-6-morpholin-4-ylpurin-2-yl]phenoxy]ethanol;2-fluoro-5-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]phenol;6-[2-(4-fluoro-3-hydroxyphenyl)-6-morpholin-4-ylpurin-9-yl]-N-methylhexanamide;4-[2-fluoro-5-(2-morpholin-4-yl-9-propylpurin-6-yl)phenoxy]-N-methylbutanamide;4-[2-fluoro-5-(9-propyl-2-pyrrolidin-1-ylpurin-6-yl)phenoxy]-N-methylbutanamide has a molecular weight of 2282.61 g/mol, XLogP of 15.32, 48 rotatable bonds, 10 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-fluoro-5-[9-[6-(hydroxyamino)hept-6-enyl]-6-morpholin-4-ylpurin-2-yl]phenoxy]ethanol;2-fluoro-5-[9-[7-(hydroxyamino)oct-7-enyl]-6-morpholin-4-ylpurin-2-yl]phenol;6-[2-(4-fluoro-3-hydroxyphenyl)-6-morpholin-4-ylpurin-9-yl]-N-methylhexanamide;4-[2-fluoro-5-(2-morpholin-4-yl-9-propylpurin-6-yl)phenoxy]-N-methylbutanamide;4-[2-fluoro-5-(9-propyl-2-pyrrolidin-1-ylpurin-6-yl)phenoxy]-N-methylbutanamide is sourced from PubChem (CID 159729989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).