7-[2,3-bis[(4-fluorophenyl)methoxy]propyl]-1,3-dimethylpurine-2,6-dione

C24H24F2N4O4 — CID 3822473

IUPAC7-[2,3-bis[(4-fluorophenyl)methoxy]propyl]-1,3-dimethylpurine-2,6-dione
SMILESCn1c(=O)c2c(ncn2CC(COCc2ccc(F)cc2)OCc2ccc(F)cc2)n(C)c1=O
InChIInChI=1S/C24H24F2N4O4/c1-28-22-21(23(31)29(2)24(28)32)30(15-27-22)11-20(34-13-17-5-9-19(26)10-6-17)14-33-12-16-3-7-18(25)8-4-16/h3-10,15,20H,11-14H2,1-2H3
InChIKeyYDJULFYWQYMWLX-UHFFFAOYSA-N
MW470.48 g/mol
LogP2.51
Rot. Bonds9

About 7-[2,3-bis[(4-fluorophenyl)methoxy]propyl]-1,3-dimethylpurine-2,6-dione

7-[2,3-bis[(4-fluorophenyl)methoxy]propyl]-1,3-dimethylpurine-2,6-dione (PubChem CID 3822473) has the molecular formula C24H24F2N4O4 and a molecular weight of 470.48 g/mol. Its IUPAC name is 7-[2,3-bis[(4-fluorophenyl)methoxy]propyl]-1,3-dimethylpurine-2,6-dione.

Molecular Properties

Compound Name7-[2,3-bis[(4-fluorophenyl)methoxy]propyl]-1,3-dimethylpurine-2,6-dione
PubChem CID3822473
Molecular FormulaC24H24F2N4O4
Molecular Weight470.48 g/mol
Exact Mass470.18
IUPAC Name7-[2,3-bis[(4-fluorophenyl)methoxy]propyl]-1,3-dimethylpurine-2,6-dione
SMILESCn1c(=O)c2c(ncn2CC(COCc2ccc(F)cc2)OCc2ccc(F)cc2)n(C)c1=O
InChIInChI=1S/C24H24F2N4O4/c1-28-22-21(23(31)29(2)24(28)32)30(15-27-22)11-20(34-13-17-5-9-19(26)10-6-17)14-33-12-16-3-7-18(25)8-4-16/h3-10,15,20H,11-14H2,1-2H3
InChIKeyYDJULFYWQYMWLX-UHFFFAOYSA-N
XLogP2.51
TPSA80.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.48
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 7-[2,3-bis[(4-fluorophenyl)methoxy]propyl]-1,3-dimethylpurine-2,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Dimenhydrinate
CID 10660
8-Benzyloxycaffeine
CID 223566
Diisobutylaminobenzoyloxypropyl Theophylline
CID 11971452
8-(3-Fluorobenzyloxy)caffeine
CID 46232853
8-[(3-Trifluoromethyl)benzyloxy]caffeine
CID 46232854
8-(3-Methylbenzyloxy)caffeine
CID 46232855
1,3-Dimethyl-7-[2-(4-methylphenoxy)ethyl]purine-2,6-dione
CID 4808153
N-[(Phenylmethoxy)carbonyl]-L-valine 2-[(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy]ethyl ester
CID 135467921
Etanautine
CID 10255142
benzyl 2-[1,7-dimethyl-9-(3-methylphenyl)-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetate
CID 664255
N-{2-[(2-chlorobenzyl)oxy]ethyl}-2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-9H-purin-9-yl)acetamide
CID 1814667
1-(2-Hydroxy-2-phenylethyl)-3,7-bis(2-methylpropyl)purine-2,6-dione
CID 4553140

Frequently Asked Questions

What is the IUPAC name of 7-[2,3-bis[(4-fluorophenyl)methoxy]propyl]-1,3-dimethylpurine-2,6-dione?
The IUPAC name of 7-[2,3-bis[(4-fluorophenyl)methoxy]propyl]-1,3-dimethylpurine-2,6-dione (CID 3822473) is 7-[2,3-bis[(4-fluorophenyl)methoxy]propyl]-1,3-dimethylpurine-2,6-dione.
What is the SMILES notation for 7-[2,3-bis[(4-fluorophenyl)methoxy]propyl]-1,3-dimethylpurine-2,6-dione?
The canonical SMILES for 7-[2,3-bis[(4-fluorophenyl)methoxy]propyl]-1,3-dimethylpurine-2,6-dione is Cn1c(=O)c2c(ncn2CC(COCc2ccc(F)cc2)OCc2ccc(F)cc2)n(C)c1=O.
What is the InChIKey of 7-[2,3-bis[(4-fluorophenyl)methoxy]propyl]-1,3-dimethylpurine-2,6-dione?
The InChIKey is YDJULFYWQYMWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N4O4/c1-28-22-21(23(31)29(2)24(28)32)30(15-27-22)11-20(34-13-17-5-9-19(26)10-6-17)14-33-12-16-3-7-18(25)8-4-16/h3-10,15,20H,11-14H2,1-2H3.
What are the key properties of 7-[2,3-bis[(4-fluorophenyl)methoxy]propyl]-1,3-dimethylpurine-2,6-dione?
7-[2,3-bis[(4-fluorophenyl)methoxy]propyl]-1,3-dimethylpurine-2,6-dione has a molecular weight of 470.48 g/mol, XLogP of 2.51, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2,3-bis[(4-fluorophenyl)methoxy]propyl]-1,3-dimethylpurine-2,6-dione is sourced from PubChem (CID 3822473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).