8-(4-hydroxy-3,5-dimethoxyphenyl)-1,3-dimethyl-7H-purine-2,6-dione

C15H16N4O5 — CID 139621134

IUPAC8-(4-hydroxy-3,5-dimethoxyphenyl)-1,3-dimethyl-7H-purine-2,6-dione
SMILESCOc1cc(-c2nc3c([nH]2)c(=O)n(C)c(=O)n3C)cc(OC)c1O
InChIInChI=1S/C15H16N4O5/c1-18-13-10(14(21)19(2)15(18)22)16-12(17-13)7-5-8(23-3)11(20)9(6-7)24-4/h5-6,20H,1-4H3,(H,16,17)
InChIKeyKBCUPWHRAQYRJA-UHFFFAOYSA-N
MW332.32 g/mol
LogP0.35
Rot. Bonds3

About 8-(4-hydroxy-3,5-dimethoxyphenyl)-1,3-dimethyl-7H-purine-2,6-dione

8-(4-hydroxy-3,5-dimethoxyphenyl)-1,3-dimethyl-7H-purine-2,6-dione (PubChem CID 139621134) has the molecular formula C15H16N4O5 and a molecular weight of 332.32 g/mol. Its IUPAC name is 8-(4-hydroxy-3,5-dimethoxyphenyl)-1,3-dimethyl-7H-purine-2,6-dione.

Molecular Properties

Compound Name8-(4-hydroxy-3,5-dimethoxyphenyl)-1,3-dimethyl-7H-purine-2,6-dione
PubChem CID139621134
Molecular FormulaC15H16N4O5
Molecular Weight332.32 g/mol
Exact Mass332.11
IUPAC Name8-(4-hydroxy-3,5-dimethoxyphenyl)-1,3-dimethyl-7H-purine-2,6-dione
SMILESCOc1cc(-c2nc3c([nH]2)c(=O)n(C)c(=O)n3C)cc(OC)c1O
InChIInChI=1S/C15H16N4O5/c1-18-13-10(14(21)19(2)15(18)22)16-12(17-13)7-5-8(23-3)11(20)9(6-7)24-4/h5-6,20H,1-4H3,(H,16,17)
InChIKeyKBCUPWHRAQYRJA-UHFFFAOYSA-N
XLogP0.35
TPSA111.37 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 8-(4-hydroxy-3,5-dimethoxyphenyl)-1,3-dimethyl-7H-purine-2,6-dione with MolForge

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Related Compounds

8-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-1,3-dimethyl-7H-purine-2,6-dione
CID 42631506
8-[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]-1,3-dimethyl-7H-purine-2,6-dione
CID 42631614
8-(5-bromo-2-hydroxyphenyl)-1,3-dimethyl-7H-purine-2,6-dione
CID 136863765
8-(3,5-dibutyl-4-hydroxyphenyl)-3-(4-methoxyphenyl)-1-methyl-7H-purine-2,6-dione
CID 135847573
1,3-dimethyl-8-(4-methyl-3-nitrosophenyl)-7H-purine-2,6-dione
CID 167483210
4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)-N'-methylbenzenecarboximidamide;hydrate;hydrochloride
CID 14257884
1,3-dimethyl-8-[4-[(methyldiazenyl)methyl]phenyl]-7H-purine-2,6-dione
CID 21285790
8-(4-fluoro-3-methoxyphenyl)-3-methyl-7H-purine-2,6-dione
CID 115765308
4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-2,6-dimethoxyphenol
CID 136776464
8-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-1,3-dimethyl-7H-purine-2,6-dione
CID 5379237
8-[1-(4-hydroxyphenyl)triazol-4-yl]-1,3-dimethyl-7H-purine-2,6-dione
CID 67959576
8-[2-(4-methoxy-2,3-dimethylphenyl)ethenyl]-1,3-dimethyl-7H-purine-2,6-dione
CID 3074098

Frequently Asked Questions

What is the IUPAC name of 8-(4-hydroxy-3,5-dimethoxyphenyl)-1,3-dimethyl-7H-purine-2,6-dione?
The IUPAC name of 8-(4-hydroxy-3,5-dimethoxyphenyl)-1,3-dimethyl-7H-purine-2,6-dione (CID 139621134) is 8-(4-hydroxy-3,5-dimethoxyphenyl)-1,3-dimethyl-7H-purine-2,6-dione.
What is the SMILES notation for 8-(4-hydroxy-3,5-dimethoxyphenyl)-1,3-dimethyl-7H-purine-2,6-dione?
The canonical SMILES for 8-(4-hydroxy-3,5-dimethoxyphenyl)-1,3-dimethyl-7H-purine-2,6-dione is COc1cc(-c2nc3c([nH]2)c(=O)n(C)c(=O)n3C)cc(OC)c1O.
What is the InChIKey of 8-(4-hydroxy-3,5-dimethoxyphenyl)-1,3-dimethyl-7H-purine-2,6-dione?
The InChIKey is KBCUPWHRAQYRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O5/c1-18-13-10(14(21)19(2)15(18)22)16-12(17-13)7-5-8(23-3)11(20)9(6-7)24-4/h5-6,20H,1-4H3,(H,16,17).
What are the key properties of 8-(4-hydroxy-3,5-dimethoxyphenyl)-1,3-dimethyl-7H-purine-2,6-dione?
8-(4-hydroxy-3,5-dimethoxyphenyl)-1,3-dimethyl-7H-purine-2,6-dione has a molecular weight of 332.32 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-hydroxy-3,5-dimethoxyphenyl)-1,3-dimethyl-7H-purine-2,6-dione is sourced from PubChem (CID 139621134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).