8-(dimethylamino)-7-ethyl-3-methyl-4,5-dihydropurine-2,6-dione

C10H17N5O2 — CID 73328933

IUPAC8-(dimethylamino)-7-ethyl-3-methyl-4,5-dihydropurine-2,6-dione
SMILESCCN1C(N(C)C)=NC2C1C(=O)NC(=O)N2C
InChIInChI=1S/C10H17N5O2/c1-5-15-6-7(11-9(15)13(2)3)14(4)10(17)12-8(6)16/h6-7H,5H2,1-4H3,(H,12,16,17)
InChIKeyNTKUWAYYYYOQEC-UHFFFAOYSA-N
MW239.28 g/mol
LogP-0.88
Rot. Bonds1

About 8-(dimethylamino)-7-ethyl-3-methyl-4,5-dihydropurine-2,6-dione

8-(dimethylamino)-7-ethyl-3-methyl-4,5-dihydropurine-2,6-dione (PubChem CID 73328933) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is 8-(dimethylamino)-7-ethyl-3-methyl-4,5-dihydropurine-2,6-dione.

Molecular Properties

Compound Name8-(dimethylamino)-7-ethyl-3-methyl-4,5-dihydropurine-2,6-dione
PubChem CID73328933
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC Name8-(dimethylamino)-7-ethyl-3-methyl-4,5-dihydropurine-2,6-dione
SMILESCCN1C(N(C)C)=NC2C1C(=O)NC(=O)N2C
InChIInChI=1S/C10H17N5O2/c1-5-15-6-7(11-9(15)13(2)3)14(4)10(17)12-8(6)16/h6-7H,5H2,1-4H3,(H,12,16,17)
InChIKeyNTKUWAYYYYOQEC-UHFFFAOYSA-N
XLogP-0.88
TPSA68.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-0.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-(dimethylamino)-7-ethyl-3-methyl-4,5-dihydropurine-2,6-dione with MolForge

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Launch Full Analysis

Related Compounds

1-butyl-3-propyl-5,7-dihydro-4H-purine-2,6-dione
CID 44339609
1,3,4,5-Tetrahydropurine-2,6-dione
CID 9855531
1-methyl-3-(2-methylpropyl)-5,7-dihydro-4H-purine-2,6-dione
CID 526707
1,3,7-Trimethylxanthine, TMS
CID 427849
(2S)-2-[3-methyl-2,6-dioxo-1-(2-oxopropyl)-5H-purin-7-ium-7-yl]propanamide
CID 139269336
(2S)-2-[3-methyl-1-[2-(methylamino)-2-oxoethyl]-2,6-dioxo-5H-purin-7-ium-7-yl]propanamide
CID 139269379
(2S)-2-(1-but-2-ynyl-3-methyl-2,6-dioxo-5H-purin-7-ium-7-yl)propanamide
CID 139269453
5-Methylxanthine
CID 129720323
3-methyl-7-propan-2-yl-8-sulfanylidene-5H-purine-2,6-dione
CID 24869251
1,3-Dimethyl-7-(2,2,2-trifluoroethyl)-4,5-dihydropurine-2,6-dione
CID 124086900
1-(5-Aminohexyl)-3,7-dimethyl-4,5-dihydropurine-2,6-dione
CID 138963613
1,5-Dimethylxanthine
CID 150760661

Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-7-ethyl-3-methyl-4,5-dihydropurine-2,6-dione?
The IUPAC name of 8-(dimethylamino)-7-ethyl-3-methyl-4,5-dihydropurine-2,6-dione (CID 73328933) is 8-(dimethylamino)-7-ethyl-3-methyl-4,5-dihydropurine-2,6-dione.
What is the SMILES notation for 8-(dimethylamino)-7-ethyl-3-methyl-4,5-dihydropurine-2,6-dione?
The canonical SMILES for 8-(dimethylamino)-7-ethyl-3-methyl-4,5-dihydropurine-2,6-dione is CCN1C(N(C)C)=NC2C1C(=O)NC(=O)N2C.
What is the InChIKey of 8-(dimethylamino)-7-ethyl-3-methyl-4,5-dihydropurine-2,6-dione?
The InChIKey is NTKUWAYYYYOQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-5-15-6-7(11-9(15)13(2)3)14(4)10(17)12-8(6)16/h6-7H,5H2,1-4H3,(H,12,16,17).
What are the key properties of 8-(dimethylamino)-7-ethyl-3-methyl-4,5-dihydropurine-2,6-dione?
8-(dimethylamino)-7-ethyl-3-methyl-4,5-dihydropurine-2,6-dione has a molecular weight of 239.28 g/mol, XLogP of -0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-7-ethyl-3-methyl-4,5-dihydropurine-2,6-dione is sourced from PubChem (CID 73328933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).