8-[2-(dimethylamino)ethylimino]-3-methyl-7-octyl-5,9-dihydro-4H-purine-2,6-dione

C18H34N6O2 — CID 167998696

IUPAC8-[2-(dimethylamino)ethylimino]-3-methyl-7-octyl-5,9-dihydro-4H-purine-2,6-dione
SMILESCCCCCCCCN1/C(=N/CCN(C)C)NC2C1C(=O)NC(=O)N2C
InChIInChI=1S/C18H34N6O2/c1-5-6-7-8-9-10-12-24-14-15(23(4)18(26)21-16(14)25)20-17(24)19-11-13-22(2)3/h14-15H,5-13H2,1-4H3,(H,19,20)(H,21,25,26)
InChIKeyZSUNNRBRIMXYOE-UHFFFAOYSA-N
MW366.51 g/mol
LogP1.05
Rot. Bonds10

About 8-[2-(dimethylamino)ethylimino]-3-methyl-7-octyl-5,9-dihydro-4H-purine-2,6-dione

8-[2-(dimethylamino)ethylimino]-3-methyl-7-octyl-5,9-dihydro-4H-purine-2,6-dione (PubChem CID 167998696) has the molecular formula C18H34N6O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 8-[2-(dimethylamino)ethylimino]-3-methyl-7-octyl-5,9-dihydro-4H-purine-2,6-dione.

Molecular Properties

Compound Name8-[2-(dimethylamino)ethylimino]-3-methyl-7-octyl-5,9-dihydro-4H-purine-2,6-dione
PubChem CID167998696
Molecular FormulaC18H34N6O2
Molecular Weight366.51 g/mol
Exact Mass366.27
IUPAC Name8-[2-(dimethylamino)ethylimino]-3-methyl-7-octyl-5,9-dihydro-4H-purine-2,6-dione
SMILESCCCCCCCCN1/C(=N/CCN(C)C)NC2C1C(=O)NC(=O)N2C
InChIInChI=1S/C18H34N6O2/c1-5-6-7-8-9-10-12-24-14-15(23(4)18(26)21-16(14)25)20-17(24)19-11-13-22(2)3/h14-15H,5-13H2,1-4H3,(H,19,20)(H,21,25,26)
InChIKeyZSUNNRBRIMXYOE-UHFFFAOYSA-N
XLogP1.05
TPSA80.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 8-[2-(dimethylamino)ethylimino]-3-methyl-7-octyl-5,9-dihydro-4H-purine-2,6-dione with MolForge

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Related Compounds

8-(3-ethoxypropylimino)-7-hexyl-3-methyl-5,9-dihydro-4H-purine-2,6-dione
CID 167999904
7-heptyl-3-methyl-8-prop-2-enylimino-5,9-dihydro-4H-purine-2,6-dione
CID 137263539
8-ethylimino-7-(2-hydroxyethyl)-3-methyl-5,9-dihydro-4H-purine-2,6-dione
CID 137257980
7-(2-ethoxyethyl)-8-(3-methoxypropylimino)-3-methyl-5,9-dihydro-4H-purine-2,6-dione
CID 167999634
8-(3-ethoxypropylimino)-3-methyl-7-(2-methylprop-2-enyl)-5,9-dihydro-4H-purine-2,6-dione
CID 137264834
8-(3-methoxypropylimino)-3-methyl-7-(2-phenoxyethyl)-5,9-dihydro-4H-purine-2,6-dione
CID 167998804
8-(2-ethylhexylimino)-7-(2-hydroxypropyl)-3-methyl-5,9-dihydro-4H-purine-2,6-dione
CID 167999814
7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methyl-8-pentylimino-5,9-dihydro-4H-purine-2,6-dione
CID 167998171
8-butylimino-7-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methyl-5,9-dihydro-4H-purine-2,6-dione
CID 156590532
7-(2-methoxyethyl)-3-methyl-8-methylimino-5,9-dihydro-4H-purine-2,6-dione
CID 137274686
3-methyl-7-phenacyl-8-(2-phenylethylimino)-5,9-dihydro-4H-purine-2,6-dione
CID 156591747
8-(dimethylamino)-3-methyl-7-pentyl-4,5-dihydropurine-2,6-dione
CID 78303009

Frequently Asked Questions

What is the IUPAC name of 8-[2-(dimethylamino)ethylimino]-3-methyl-7-octyl-5,9-dihydro-4H-purine-2,6-dione?
The IUPAC name of 8-[2-(dimethylamino)ethylimino]-3-methyl-7-octyl-5,9-dihydro-4H-purine-2,6-dione (CID 167998696) is 8-[2-(dimethylamino)ethylimino]-3-methyl-7-octyl-5,9-dihydro-4H-purine-2,6-dione.
What is the SMILES notation for 8-[2-(dimethylamino)ethylimino]-3-methyl-7-octyl-5,9-dihydro-4H-purine-2,6-dione?
The canonical SMILES for 8-[2-(dimethylamino)ethylimino]-3-methyl-7-octyl-5,9-dihydro-4H-purine-2,6-dione is CCCCCCCCN1/C(=N/CCN(C)C)NC2C1C(=O)NC(=O)N2C.
What is the InChIKey of 8-[2-(dimethylamino)ethylimino]-3-methyl-7-octyl-5,9-dihydro-4H-purine-2,6-dione?
The InChIKey is ZSUNNRBRIMXYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N6O2/c1-5-6-7-8-9-10-12-24-14-15(23(4)18(26)21-16(14)25)20-17(24)19-11-13-22(2)3/h14-15H,5-13H2,1-4H3,(H,19,20)(H,21,25,26).
What are the key properties of 8-[2-(dimethylamino)ethylimino]-3-methyl-7-octyl-5,9-dihydro-4H-purine-2,6-dione?
8-[2-(dimethylamino)ethylimino]-3-methyl-7-octyl-5,9-dihydro-4H-purine-2,6-dione has a molecular weight of 366.51 g/mol, XLogP of 1.05, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(dimethylamino)ethylimino]-3-methyl-7-octyl-5,9-dihydro-4H-purine-2,6-dione is sourced from PubChem (CID 167998696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).