7-ethyl-8-(2-fluorophenoxy)-1,3-dimethylpurine-2,6-dione

C15H15FN4O3 — CID 5300282

IUPAC7-ethyl-8-(2-fluorophenoxy)-1,3-dimethylpurine-2,6-dione
SMILESCCn1c(Oc2ccccc2F)nc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C15H15FN4O3/c1-4-20-11-12(18(2)15(22)19(3)13(11)21)17-14(20)23-10-8-6-5-7-9(10)16/h5-8H,4H2,1-3H3
InChIKeyMMPJMPZAQKAEAA-UHFFFAOYSA-N
MW318.31 g/mol
LogP1.38
Rot. Bonds3

About 7-ethyl-8-(2-fluorophenoxy)-1,3-dimethylpurine-2,6-dione

7-ethyl-8-(2-fluorophenoxy)-1,3-dimethylpurine-2,6-dione (PubChem CID 5300282) has the molecular formula C15H15FN4O3 and a molecular weight of 318.31 g/mol. Its IUPAC name is 7-ethyl-8-(2-fluorophenoxy)-1,3-dimethylpurine-2,6-dione.

Molecular Properties

Compound Name7-ethyl-8-(2-fluorophenoxy)-1,3-dimethylpurine-2,6-dione
PubChem CID5300282
Molecular FormulaC15H15FN4O3
Molecular Weight318.31 g/mol
Exact Mass318.11
IUPAC Name7-ethyl-8-(2-fluorophenoxy)-1,3-dimethylpurine-2,6-dione
SMILESCCn1c(Oc2ccccc2F)nc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C15H15FN4O3/c1-4-20-11-12(18(2)15(22)19(3)13(11)21)17-14(20)23-10-8-6-5-7-9(10)16/h5-8H,4H2,1-3H3
InChIKeyMMPJMPZAQKAEAA-UHFFFAOYSA-N
XLogP1.38
TPSA71.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.31
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7-ethyl-8-(2-fluorophenoxy)-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

1H-Purine-2,6-dione, 3,7-dihydro-8-(diethylamino)-3-methyl-7-(2-phenoxyethyl)-
CID 1084966
1H-Purine-2,6-dione, 3,7-dihydro-8-(hexahydro-1H-azepin-1-yl)-3-methyl-7-(2-phenoxyethyl)-
CID 1084970
1H-Purine-2,6-dione, 3,7-dihydro-1,3-dipropyl-8-(2-(4-methoxyphenyl)ethenyl)-7-methyl-, (E)-
CID 6448584
8-(Allylamino)-3-methyl-7-(2-phenoxyethyl)-3,7-dihydro-1H-purine-2,6-dione
CID 3154190
8-(Sec-butylamino)-3-methyl-7-(2-phenoxyethyl)-3,7-dihydro-1H-purine-2,6-dione
CID 3877450
8-(3-Methoxybenzyloxy)caffeine
CID 658198
1H-Purine-2,6-dione, 3,7-dihydro-8-((2-hydroxyethyl)amino)-3-methyl-7-(2-phenoxyethyl)-
CID 3064731
8-(Dimethylamino)-3-methyl-7-(2-phenoxyethyl)-3,7-dihydro-1H-purine-2,6-dione
CID 939345
7-(2-Hydroxy-3-phenoxypropyl)-8-[(3-methoxypropyl)amino]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
CID 662716
8-(Butylamino)-3-methyl-7-(2-phenoxyethyl)-3,7-dihydro-1H-purine-2,6-dione
CID 663866
3-Methyl-7-(2-phenoxyethyl)-8-(propylamino)-3,7-dihydro-1H-purine-2,6-dione
CID 3653315
8-(3-Fluorobenzyloxy)caffeine
CID 46232853

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-8-(2-fluorophenoxy)-1,3-dimethylpurine-2,6-dione?
The IUPAC name of 7-ethyl-8-(2-fluorophenoxy)-1,3-dimethylpurine-2,6-dione (CID 5300282) is 7-ethyl-8-(2-fluorophenoxy)-1,3-dimethylpurine-2,6-dione.
What is the SMILES notation for 7-ethyl-8-(2-fluorophenoxy)-1,3-dimethylpurine-2,6-dione?
The canonical SMILES for 7-ethyl-8-(2-fluorophenoxy)-1,3-dimethylpurine-2,6-dione is CCn1c(Oc2ccccc2F)nc2c1c(=O)n(C)c(=O)n2C.
What is the InChIKey of 7-ethyl-8-(2-fluorophenoxy)-1,3-dimethylpurine-2,6-dione?
The InChIKey is MMPJMPZAQKAEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O3/c1-4-20-11-12(18(2)15(22)19(3)13(11)21)17-14(20)23-10-8-6-5-7-9(10)16/h5-8H,4H2,1-3H3.
What are the key properties of 7-ethyl-8-(2-fluorophenoxy)-1,3-dimethylpurine-2,6-dione?
7-ethyl-8-(2-fluorophenoxy)-1,3-dimethylpurine-2,6-dione has a molecular weight of 318.31 g/mol, XLogP of 1.38, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-8-(2-fluorophenoxy)-1,3-dimethylpurine-2,6-dione is sourced from PubChem (CID 5300282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).