6-(4-fluorophenyl)-4,7-dimethyl-2-(3-methylbutyl)purino[7,8-a]imidazole-1,3-dione

C20H22FN5O2 — CID 7152019

IUPAC6-(4-fluorophenyl)-4,7-dimethyl-2-(3-methylbutyl)purino[7,8-a]imidazole-1,3-dione
SMILESCc1cn2c3c(=O)n(CCC(C)C)c(=O)n(C)c3nc2n1-c1ccc(F)cc1
InChIInChI=1S/C20H22FN5O2/c1-12(2)9-10-24-18(27)16-17(23(4)20(24)28)22-19-25(16)11-13(3)26(19)15-7-5-14(21)6-8-15/h5-8,11-12H,9-10H2,1-4H3
InChIKeyOESOHTYJVFGBGF-UHFFFAOYSA-N
MW383.43 g/mol
LogP2.63
Rot. Bonds4

About 6-(4-fluorophenyl)-4,7-dimethyl-2-(3-methylbutyl)purino[7,8-a]imidazole-1,3-dione

6-(4-fluorophenyl)-4,7-dimethyl-2-(3-methylbutyl)purino[7,8-a]imidazole-1,3-dione (PubChem CID 7152019) has the molecular formula C20H22FN5O2 and a molecular weight of 383.43 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-4,7-dimethyl-2-(3-methylbutyl)purino[7,8-a]imidazole-1,3-dione.

Molecular Properties

Compound Name6-(4-fluorophenyl)-4,7-dimethyl-2-(3-methylbutyl)purino[7,8-a]imidazole-1,3-dione
PubChem CID7152019
Molecular FormulaC20H22FN5O2
Molecular Weight383.43 g/mol
Exact Mass383.18
IUPAC Name6-(4-fluorophenyl)-4,7-dimethyl-2-(3-methylbutyl)purino[7,8-a]imidazole-1,3-dione
SMILESCc1cn2c3c(=O)n(CCC(C)C)c(=O)n(C)c3nc2n1-c1ccc(F)cc1
InChIInChI=1S/C20H22FN5O2/c1-12(2)9-10-24-18(27)16-17(23(4)20(24)28)22-19-25(16)11-13(3)26(19)15-7-5-14(21)6-8-15/h5-8,11-12H,9-10H2,1-4H3
InChIKeyOESOHTYJVFGBGF-UHFFFAOYSA-N
XLogP2.63
TPSA66.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-(4-fluorophenyl)-4,7-dimethyl-2-(3-methylbutyl)purino[7,8-a]imidazole-1,3-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

4,7-dimethyl-2-(3-methylbutyl)-6-[4-(trifluoromethyl)phenyl]purino[7,8-a]imidazole-1,3-dione
CID 16623923
6-(4-fluorophenyl)-2-(2-methoxyethyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione
CID 4892729
6-(4-fluorophenyl)-4,7,8-trimethyl-2-(3-methylbutyl)purino[7,8-a]imidazole-1,3-dione
CID 16623578
2-[3-(azepan-1-yl)propyl]-6-(4-fluorophenyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione
CID 16813415
6-ethyl-4,7-dimethyl-2-(3-methylbutyl)purino[7,8-a]imidazole-1,3-dione
CID 16615714
6-(4-chlorophenyl)-2-(2-methoxyethyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione
CID 4888655
6-(4-bromophenyl)-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione
CID 4892656
4-(2-ethyl-4,7-dimethyl-1,3-dioxopurino[7,8-a]imidazol-6-yl)benzamide
CID 45498296
6-(4-ethoxyphenyl)-2-(2-methoxyethyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione
CID 16615759
methyl 2-[4,7-dimethyl-6-(4-methylphenyl)-1,3-dioxopurino[7,8-a]imidazol-2-yl]acetate
CID 16797990
6-(4-chlorophenyl)-4,7-dimethyl-2-(2-methylprop-2-enyl)purino[7,8-a]imidazole-1,3-dione
CID 4887538
6-(4-methoxyphenyl)-4,7-dimethyl-2-(2-morpholin-4-ylethyl)purino[7,8-a]imidazole-1,3-dione
CID 4891036

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-4,7-dimethyl-2-(3-methylbutyl)purino[7,8-a]imidazole-1,3-dione?
The IUPAC name of 6-(4-fluorophenyl)-4,7-dimethyl-2-(3-methylbutyl)purino[7,8-a]imidazole-1,3-dione (CID 7152019) is 6-(4-fluorophenyl)-4,7-dimethyl-2-(3-methylbutyl)purino[7,8-a]imidazole-1,3-dione.
What is the SMILES notation for 6-(4-fluorophenyl)-4,7-dimethyl-2-(3-methylbutyl)purino[7,8-a]imidazole-1,3-dione?
The canonical SMILES for 6-(4-fluorophenyl)-4,7-dimethyl-2-(3-methylbutyl)purino[7,8-a]imidazole-1,3-dione is Cc1cn2c3c(=O)n(CCC(C)C)c(=O)n(C)c3nc2n1-c1ccc(F)cc1.
What is the InChIKey of 6-(4-fluorophenyl)-4,7-dimethyl-2-(3-methylbutyl)purino[7,8-a]imidazole-1,3-dione?
The InChIKey is OESOHTYJVFGBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O2/c1-12(2)9-10-24-18(27)16-17(23(4)20(24)28)22-19-25(16)11-13(3)26(19)15-7-5-14(21)6-8-15/h5-8,11-12H,9-10H2,1-4H3.
What are the key properties of 6-(4-fluorophenyl)-4,7-dimethyl-2-(3-methylbutyl)purino[7,8-a]imidazole-1,3-dione?
6-(4-fluorophenyl)-4,7-dimethyl-2-(3-methylbutyl)purino[7,8-a]imidazole-1,3-dione has a molecular weight of 383.43 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-4,7-dimethyl-2-(3-methylbutyl)purino[7,8-a]imidazole-1,3-dione is sourced from PubChem (CID 7152019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).