2-fluoro-6-[2-(4-nitrophenyl)ethoxy]-8-phenyl-7H-purine

C19H14FN5O3 — CID 142256526

IUPAC2-fluoro-6-[2-(4-nitrophenyl)ethoxy]-8-phenyl-7H-purine
SMILESO=[N+]([O-])c1ccc(CCOc2nc(F)nc3nc(-c4ccccc4)[nH]c23)cc1
InChIInChI=1S/C19H14FN5O3/c20-19-23-17-15(21-16(22-17)13-4-2-1-3-5-13)18(24-19)28-11-10-12-6-8-14(9-7-12)25(26)27/h1-9H,10-11H2,(H,21,22,23,24)
InChIKeyKKYNVXJPADDDGN-UHFFFAOYSA-N
MW379.35 g/mol
LogP3.69
Rot. Bonds6

About 2-fluoro-6-[2-(4-nitrophenyl)ethoxy]-8-phenyl-7H-purine

2-fluoro-6-[2-(4-nitrophenyl)ethoxy]-8-phenyl-7H-purine (PubChem CID 142256526) has the molecular formula C19H14FN5O3 and a molecular weight of 379.35 g/mol. Its IUPAC name is 2-fluoro-6-[2-(4-nitrophenyl)ethoxy]-8-phenyl-7H-purine.

Molecular Properties

Compound Name2-fluoro-6-[2-(4-nitrophenyl)ethoxy]-8-phenyl-7H-purine
PubChem CID142256526
Molecular FormulaC19H14FN5O3
Molecular Weight379.35 g/mol
Exact Mass379.11
IUPAC Name2-fluoro-6-[2-(4-nitrophenyl)ethoxy]-8-phenyl-7H-purine
SMILESO=[N+]([O-])c1ccc(CCOc2nc(F)nc3nc(-c4ccccc4)[nH]c23)cc1
InChIInChI=1S/C19H14FN5O3/c20-19-23-17-15(21-16(22-17)13-4-2-1-3-5-13)18(24-19)28-11-10-12-6-8-14(9-7-12)25(26)27/h1-9H,10-11H2,(H,21,22,23,24)
InChIKeyKKYNVXJPADDDGN-UHFFFAOYSA-N
XLogP3.69
TPSA106.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.35
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-9-methyl-6-[2-(4-nitrophenyl)ethoxy]purine
CID 58818821
5-[(4-nitrophenyl)methyl]-2-phenyl-1H-imidazole
CID 24754446
6-benzylsulfanyl-8-(4-nitrophenyl)-7H-purine
CID 25186363
2-[2-(4-nitrophenyl)ethoxy]pyridine
CID 70249907
4-[(4-nitrophenyl)methylsulfanyl]-2,5-diphenyl-1H-imidazole
CID 11165115
4-(4-nitrophenyl)-2-[4-[4-(4-nitrophenyl)-5-phenyl-1H-imidazol-2-yl]phenyl]-5-phenyl-1H-imidazole
CID 135420019
6-[2-[(4-nitrophenyl)methylidene]hydrazinyl]-8-phenyl-1,7-dihydropurin-2-one
CID 156757072
1-nitro-4-(2-trityloxyethyl)benzene
CID 17201978
[2-[2-(4-nitrophenyl)ethoxy]phenyl]methanol
CID 43520060
ethyl 2-(4-nitrophenyl)-5-propyl-1H-imidazole-4-carboxylate
CID 66572243
2-[2-[2-(4-nitrophenyl)ethoxy]phenyl]ethanol
CID 107713105
methanol;bis(2-(4-nitrophenyl)-4,5-diphenyl-1H-imidazole)
CID 139060721

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[2-(4-nitrophenyl)ethoxy]-8-phenyl-7H-purine?
The IUPAC name of 2-fluoro-6-[2-(4-nitrophenyl)ethoxy]-8-phenyl-7H-purine (CID 142256526) is 2-fluoro-6-[2-(4-nitrophenyl)ethoxy]-8-phenyl-7H-purine.
What is the SMILES notation for 2-fluoro-6-[2-(4-nitrophenyl)ethoxy]-8-phenyl-7H-purine?
The canonical SMILES for 2-fluoro-6-[2-(4-nitrophenyl)ethoxy]-8-phenyl-7H-purine is O=[N+]([O-])c1ccc(CCOc2nc(F)nc3nc(-c4ccccc4)[nH]c23)cc1.
What is the InChIKey of 2-fluoro-6-[2-(4-nitrophenyl)ethoxy]-8-phenyl-7H-purine?
The InChIKey is KKYNVXJPADDDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN5O3/c20-19-23-17-15(21-16(22-17)13-4-2-1-3-5-13)18(24-19)28-11-10-12-6-8-14(9-7-12)25(26)27/h1-9H,10-11H2,(H,21,22,23,24).
What are the key properties of 2-fluoro-6-[2-(4-nitrophenyl)ethoxy]-8-phenyl-7H-purine?
2-fluoro-6-[2-(4-nitrophenyl)ethoxy]-8-phenyl-7H-purine has a molecular weight of 379.35 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[2-(4-nitrophenyl)ethoxy]-8-phenyl-7H-purine is sourced from PubChem (CID 142256526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).