8-(8-hydroxyoctyl)-3,7-dimethylpurine-2,6-dione

C15H24N4O3 — CID 67735594

IUPAC8-(8-hydroxyoctyl)-3,7-dimethylpurine-2,6-dione
SMILESCn1c(CCCCCCCCO)nc2c1c(=O)[nH]c(=O)n2C
InChIInChI=1S/C15H24N4O3/c1-18-11(9-7-5-3-4-6-8-10-20)16-13-12(18)14(21)17-15(22)19(13)2/h20H,3-10H2,1-2H3,(H,17,21,22)
InChIKeyUIFWELIPOUIBAA-UHFFFAOYSA-N
MW308.38 g/mol
LogP0.84
Rot. Bonds8

About 8-(8-hydroxyoctyl)-3,7-dimethylpurine-2,6-dione

8-(8-hydroxyoctyl)-3,7-dimethylpurine-2,6-dione (PubChem CID 67735594) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is 8-(8-hydroxyoctyl)-3,7-dimethylpurine-2,6-dione.

Molecular Properties

Compound Name8-(8-hydroxyoctyl)-3,7-dimethylpurine-2,6-dione
PubChem CID67735594
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Name8-(8-hydroxyoctyl)-3,7-dimethylpurine-2,6-dione
SMILESCn1c(CCCCCCCCO)nc2c1c(=O)[nH]c(=O)n2C
InChIInChI=1S/C15H24N4O3/c1-18-11(9-7-5-3-4-6-8-10-20)16-13-12(18)14(21)17-15(22)19(13)2/h20H,3-10H2,1-2H3,(H,17,21,22)
InChIKeyUIFWELIPOUIBAA-UHFFFAOYSA-N
XLogP0.84
TPSA92.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

8-(6-hydroxyheptyl)-3,7-dimethylpurine-2,6-dione
CID 67735598
3,7-dimethyl-8-tridec-12-enylpurine-2,6-dione
CID 67735390
3,7-dimethyl-8-[(9Z,12Z)-octadeca-9,12-dienyl]purine-2,6-dione
CID 67735435
diethyl 2-[11-(3,7-dimethyl-2,6-dioxopurin-8-yl)undecyl]-2-undecylpropanedioate
CID 67650435
3,7-dimethyl-8-(2-methylpropyl)purine-2,6-dione
CID 70556316
N-[11-(3,7-dimethyl-2,6-dioxopurin-8-yl)undecyl]pyrrolidine-2-carboxamide
CID 67651316
N-decyl-N-[11-(3,7-dimethyl-2,6-dioxopurin-8-yl)-2-hydroxyundecyl]acetamide
CID 67650737
3-methyl-8-(5-oxohexyl)-7-(2-oxopropyl)purine-2,6-dione
CID 18963830
8-[6-(benzylamino)-5-hydroxyhexyl]-3,7-dimethylpurine-2,6-dione
CID 67779715
8-amino-7-(2-hydroxyethyl)-3-methylpurine-2,6-dione
CID 787610
8-(2-hydroxyethylamino)-3-methyl-7-nonylpurine-2,6-dione
CID 44892318
8-(3-hydroxypropylsulfanyl)-3-methyl-7-pentylpurine-2,6-dione
CID 3151060

Frequently Asked Questions

What is the IUPAC name of 8-(8-hydroxyoctyl)-3,7-dimethylpurine-2,6-dione?
The IUPAC name of 8-(8-hydroxyoctyl)-3,7-dimethylpurine-2,6-dione (CID 67735594) is 8-(8-hydroxyoctyl)-3,7-dimethylpurine-2,6-dione.
What is the SMILES notation for 8-(8-hydroxyoctyl)-3,7-dimethylpurine-2,6-dione?
The canonical SMILES for 8-(8-hydroxyoctyl)-3,7-dimethylpurine-2,6-dione is Cn1c(CCCCCCCCO)nc2c1c(=O)[nH]c(=O)n2C.
What is the InChIKey of 8-(8-hydroxyoctyl)-3,7-dimethylpurine-2,6-dione?
The InChIKey is UIFWELIPOUIBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-18-11(9-7-5-3-4-6-8-10-20)16-13-12(18)14(21)17-15(22)19(13)2/h20H,3-10H2,1-2H3,(H,17,21,22).
What are the key properties of 8-(8-hydroxyoctyl)-3,7-dimethylpurine-2,6-dione?
8-(8-hydroxyoctyl)-3,7-dimethylpurine-2,6-dione has a molecular weight of 308.38 g/mol, XLogP of 0.84, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(8-hydroxyoctyl)-3,7-dimethylpurine-2,6-dione is sourced from PubChem (CID 67735594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).