8-[2-(diethylamino)ethylamino]-1,3,7-trimethylpurine-2,6-dione

C14H24N6O2 — CID 702626

IUPAC8-[2-(diethylamino)ethylamino]-1,3,7-trimethylpurine-2,6-dione
SMILESCCN(CC)CCNc1nc2c(c(=O)n(C)c(=O)n2C)n1C
InChIInChI=1S/C14H24N6O2/c1-6-20(7-2)9-8-15-13-16-11-10(17(13)3)12(21)19(5)14(22)18(11)4/h6-9H2,1-5H3,(H,15,16)
InChIKeyYULCFIQJHSAXCU-UHFFFAOYSA-N
MW308.39 g/mol
LogP-0.28
Rot. Bonds6

About 8-[2-(diethylamino)ethylamino]-1,3,7-trimethylpurine-2,6-dione

8-[2-(diethylamino)ethylamino]-1,3,7-trimethylpurine-2,6-dione (PubChem CID 702626) has the molecular formula C14H24N6O2 and a molecular weight of 308.39 g/mol. Its IUPAC name is 8-[2-(diethylamino)ethylamino]-1,3,7-trimethylpurine-2,6-dione.

Molecular Properties

Compound Name8-[2-(diethylamino)ethylamino]-1,3,7-trimethylpurine-2,6-dione
PubChem CID702626
Molecular FormulaC14H24N6O2
Molecular Weight308.39 g/mol
Exact Mass308.20
IUPAC Name8-[2-(diethylamino)ethylamino]-1,3,7-trimethylpurine-2,6-dione
SMILESCCN(CC)CCNc1nc2c(c(=O)n(C)c(=O)n2C)n1C
InChIInChI=1S/C14H24N6O2/c1-6-20(7-2)9-8-15-13-16-11-10(17(13)3)12(21)19(5)14(22)18(11)4/h6-9H2,1-5H3,(H,15,16)
InChIKeyYULCFIQJHSAXCU-UHFFFAOYSA-N
XLogP-0.28
TPSA77.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

8-[2-(diethylamino)ethylamino]-7-[(3-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione
CID 23959062
1,3,7-trimethyl-8-[2-[methyl-[(2R)-1-phenylpropan-2-yl]amino]ethylamino]purine-2,6-dione
CID 76964579
8-[[(2S)-butan-2-yl]amino]-1,3,7-trimethylpurine-2,6-dione
CID 40535568
8-[2-(4-hydroxyphenyl)ethylamino]-1,3,7-trimethylpurine-2,6-dione
CID 2815784
8-[2-(diethylamino)ethylamino]-7-[3-(3,4-dimethylphenoxy)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione
CID 16805112
7-[2-(diethylamino)ethyl]-1,3-dimethylpurine-2,6-dione;hydrochloride
CID 28328
1-ethyl-3,7-dimethyl-8-(pentylamino)purine-2,6-dione
CID 45496891
N-[2-(diethylamino)ethyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;hydrochloride
CID 24844051
1,3,7-trimethyl-8-(3-morpholin-4-ium-4-ylpropylamino)purine-2,6-dione
CID 7000249
1,3-dimethyl-7-(2-methylpropyl)-8-(propylamino)purine-2,6-dione
CID 16802673
2-[(7-ethyl-1,3-dimethyl-2,6-dioxopurin-8-yl)amino]ethyl-dimethylazanium
CID 3620443
1,3,7-trimethyl-8-propanoylpurine-2,6-dione
CID 15928599

Frequently Asked Questions

What is the IUPAC name of 8-[2-(diethylamino)ethylamino]-1,3,7-trimethylpurine-2,6-dione?
The IUPAC name of 8-[2-(diethylamino)ethylamino]-1,3,7-trimethylpurine-2,6-dione (CID 702626) is 8-[2-(diethylamino)ethylamino]-1,3,7-trimethylpurine-2,6-dione.
What is the SMILES notation for 8-[2-(diethylamino)ethylamino]-1,3,7-trimethylpurine-2,6-dione?
The canonical SMILES for 8-[2-(diethylamino)ethylamino]-1,3,7-trimethylpurine-2,6-dione is CCN(CC)CCNc1nc2c(c(=O)n(C)c(=O)n2C)n1C.
What is the InChIKey of 8-[2-(diethylamino)ethylamino]-1,3,7-trimethylpurine-2,6-dione?
The InChIKey is YULCFIQJHSAXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6O2/c1-6-20(7-2)9-8-15-13-16-11-10(17(13)3)12(21)19(5)14(22)18(11)4/h6-9H2,1-5H3,(H,15,16).
What are the key properties of 8-[2-(diethylamino)ethylamino]-1,3,7-trimethylpurine-2,6-dione?
8-[2-(diethylamino)ethylamino]-1,3,7-trimethylpurine-2,6-dione has a molecular weight of 308.39 g/mol, XLogP of -0.28, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(diethylamino)ethylamino]-1,3,7-trimethylpurine-2,6-dione is sourced from PubChem (CID 702626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).