1,3-diethyl-7-(10-hydroxydecyl)purine-2,6-dione

C19H32N4O3 — CID 67820183

IUPAC1,3-diethyl-7-(10-hydroxydecyl)purine-2,6-dione
SMILESCCn1c(=O)c2c(ncn2CCCCCCCCCCO)n(CC)c1=O
InChIInChI=1S/C19H32N4O3/c1-3-22-17-16(18(25)23(4-2)19(22)26)21(15-20-17)13-11-9-7-5-6-8-10-12-14-24/h15,24H,3-14H2,1-2H3
InChIKeyIEDCQPWORJKGNR-UHFFFAOYSA-N
MW364.49 g/mol
LogP2.51
Rot. Bonds12

About 1,3-diethyl-7-(10-hydroxydecyl)purine-2,6-dione

1,3-diethyl-7-(10-hydroxydecyl)purine-2,6-dione (PubChem CID 67820183) has the molecular formula C19H32N4O3 and a molecular weight of 364.49 g/mol. Its IUPAC name is 1,3-diethyl-7-(10-hydroxydecyl)purine-2,6-dione.

Molecular Properties

Compound Name1,3-diethyl-7-(10-hydroxydecyl)purine-2,6-dione
PubChem CID67820183
Molecular FormulaC19H32N4O3
Molecular Weight364.49 g/mol
Exact Mass364.25
IUPAC Name1,3-diethyl-7-(10-hydroxydecyl)purine-2,6-dione
SMILESCCn1c(=O)c2c(ncn2CCCCCCCCCCO)n(CC)c1=O
InChIInChI=1S/C19H32N4O3/c1-3-22-17-16(18(25)23(4-2)19(22)26)21(15-20-17)13-11-9-7-5-6-8-10-12-14-24/h15,24H,3-14H2,1-2H3
InChIKeyIEDCQPWORJKGNR-UHFFFAOYSA-N
XLogP2.51
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1,3-dibutyl-7-(3-hydroxypropyl)purine-2,6-dione
CID 57299123
7-(15-hydroxypentadecyl)-1,3-dimethylpurine-2,6-dione
CID 67820115
7-(5,6-dihydroxyhexyl)-3-ethyl-1-prop-2-enylpurine-2,6-dione
CID 15023889
7-(2-amino-2-methylpropyl)-1,3-diethylpurine-2,6-dione
CID 82465662
3-methyl-1,7-bis(6-oxoheptyl)purine-2,6-dione
CID 10500610
1-(3-hydroxypropyl)-3,7-bis(2-methylpropyl)purine-2,6-dione
CID 110891810
1-(4-aminobutyl)-3-ethyl-7-methylpurine-2,6-dione
CID 82466206
1-ethyl-3-(6-hydroxyhexyl)imidazol-2-one
CID 107705197
1-ethyl-3-methyl-7-propylpurine-2,6-dione;N-propan-2-ylpropan-2-amine
CID 70591246
1,3-diethyl-8-(3-hydroxypropylamino)-7-methylpurine-2,6-dione
CID 82464460
1-butyl-7-(2-oxopropyl)-3-propylpurine-2,6-dione
CID 20601395
1-(2-aminoethyl)-3-butyl-7-ethylpurine-2,6-dione
CID 82466610

Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-7-(10-hydroxydecyl)purine-2,6-dione?
The IUPAC name of 1,3-diethyl-7-(10-hydroxydecyl)purine-2,6-dione (CID 67820183) is 1,3-diethyl-7-(10-hydroxydecyl)purine-2,6-dione.
What is the SMILES notation for 1,3-diethyl-7-(10-hydroxydecyl)purine-2,6-dione?
The canonical SMILES for 1,3-diethyl-7-(10-hydroxydecyl)purine-2,6-dione is CCn1c(=O)c2c(ncn2CCCCCCCCCCO)n(CC)c1=O.
What is the InChIKey of 1,3-diethyl-7-(10-hydroxydecyl)purine-2,6-dione?
The InChIKey is IEDCQPWORJKGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O3/c1-3-22-17-16(18(25)23(4-2)19(22)26)21(15-20-17)13-11-9-7-5-6-8-10-12-14-24/h15,24H,3-14H2,1-2H3.
What are the key properties of 1,3-diethyl-7-(10-hydroxydecyl)purine-2,6-dione?
1,3-diethyl-7-(10-hydroxydecyl)purine-2,6-dione has a molecular weight of 364.49 g/mol, XLogP of 2.51, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-7-(10-hydroxydecyl)purine-2,6-dione is sourced from PubChem (CID 67820183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).