3-(4-fluorophenyl)-1-(3-methylbutyl)-7-propylpurine-2,6-dione

C19H23FN4O2 — CID 46047246

IUPAC3-(4-fluorophenyl)-1-(3-methylbutyl)-7-propylpurine-2,6-dione
SMILESCCCn1cnc2c1c(=O)n(CCC(C)C)c(=O)n2-c1ccc(F)cc1
InChIInChI=1S/C19H23FN4O2/c1-4-10-22-12-21-17-16(22)18(25)23(11-9-13(2)3)19(26)24(17)15-7-5-14(20)6-8-15/h5-8,12-13H,4,9-11H2,1-3H3
InChIKeyGGQWTPITFWDQPX-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.94
Rot. Bonds6

About 3-(4-fluorophenyl)-1-(3-methylbutyl)-7-propylpurine-2,6-dione

3-(4-fluorophenyl)-1-(3-methylbutyl)-7-propylpurine-2,6-dione (PubChem CID 46047246) has the molecular formula C19H23FN4O2 and a molecular weight of 358.42 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-(3-methylbutyl)-7-propylpurine-2,6-dione.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-(3-methylbutyl)-7-propylpurine-2,6-dione
PubChem CID46047246
Molecular FormulaC19H23FN4O2
Molecular Weight358.42 g/mol
Exact Mass358.18
IUPAC Name3-(4-fluorophenyl)-1-(3-methylbutyl)-7-propylpurine-2,6-dione
SMILESCCCn1cnc2c1c(=O)n(CCC(C)C)c(=O)n2-c1ccc(F)cc1
InChIInChI=1S/C19H23FN4O2/c1-4-10-22-12-21-17-16(22)18(25)23(11-9-13(2)3)19(26)24(17)15-7-5-14(20)6-8-15/h5-8,12-13H,4,9-11H2,1-3H3
InChIKeyGGQWTPITFWDQPX-UHFFFAOYSA-N
XLogP2.94
TPSA61.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(4-fluorophenyl)-1-(3-methylbutyl)-7-propylpurine-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

3-(4-fluorophenyl)-1-(2-methoxyethyl)-7-propylpurine-2,6-dione
CID 46062228
3-(4-fluorophenyl)-7-[(4-methoxyphenyl)methyl]-1-(3-methylbutyl)purine-2,6-dione
CID 46047235
1-ethyl-3-(4-methylphenyl)-7-propylpurine-2,6-dione
CID 46158911
7-[(3,4-difluorophenyl)methyl]-1-(3-methylbutyl)-3-phenylpurine-2,6-dione
CID 46047390
1-(3-methylbutyl)-3-(4-methylphenyl)-7-propan-2-ylpurine-2,6-dione
CID 42853159
3-(4-chlorophenyl)-1-(3-methylbutyl)-7-[(2-methylphenyl)methyl]purine-2,6-dione
CID 46047294
1-(3-methylbutyl)-3-(4-methylphenyl)-7-[(3-methylphenyl)methyl]purine-2,6-dione
CID 46047505
1-benzyl-7-ethyl-3-(4-fluorophenyl)purine-2,6-dione
CID 46061023
7-[(3-chlorophenyl)methyl]-3-(3-fluorophenyl)-1-(3-methylbutyl)purine-2,6-dione
CID 46047055
ethyl 2-[1-ethyl-3-(4-fluorophenyl)-2,6-dioxopurin-7-yl]acetate
CID 46047195
3-(3-fluorophenyl)-7-[(3-methoxyphenyl)methyl]-1-(3-methylbutyl)purine-2,6-dione
CID 42853009
7-[2-(4-methoxyphenyl)-2-oxoethyl]-1-(3-methylbutyl)-3-(4-propan-2-ylphenyl)purine-2,6-dione
CID 42862831

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-(3-methylbutyl)-7-propylpurine-2,6-dione?
The IUPAC name of 3-(4-fluorophenyl)-1-(3-methylbutyl)-7-propylpurine-2,6-dione (CID 46047246) is 3-(4-fluorophenyl)-1-(3-methylbutyl)-7-propylpurine-2,6-dione.
What is the SMILES notation for 3-(4-fluorophenyl)-1-(3-methylbutyl)-7-propylpurine-2,6-dione?
The canonical SMILES for 3-(4-fluorophenyl)-1-(3-methylbutyl)-7-propylpurine-2,6-dione is CCCn1cnc2c1c(=O)n(CCC(C)C)c(=O)n2-c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-1-(3-methylbutyl)-7-propylpurine-2,6-dione?
The InChIKey is GGQWTPITFWDQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O2/c1-4-10-22-12-21-17-16(22)18(25)23(11-9-13(2)3)19(26)24(17)15-7-5-14(20)6-8-15/h5-8,12-13H,4,9-11H2,1-3H3.
What are the key properties of 3-(4-fluorophenyl)-1-(3-methylbutyl)-7-propylpurine-2,6-dione?
3-(4-fluorophenyl)-1-(3-methylbutyl)-7-propylpurine-2,6-dione has a molecular weight of 358.42 g/mol, XLogP of 2.94, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-(3-methylbutyl)-7-propylpurine-2,6-dione is sourced from PubChem (CID 46047246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).