8-amino-1,7-diethyl-3-methylpurine-2,6-dione

C10H15N5O2 — CID 82464399

IUPAC8-amino-1,7-diethyl-3-methylpurine-2,6-dione
SMILESCCn1c(=O)c2c(nc(N)n2CC)n(C)c1=O
InChIInChI=1S/C10H15N5O2/c1-4-14-6-7(12-9(14)11)13(3)10(17)15(5-2)8(6)16/h4-5H2,1-3H3,(H2,11,12)
InChIKeyXSNQFGBQKJCMNV-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.48
Rot. Bonds2

About 8-amino-1,7-diethyl-3-methylpurine-2,6-dione

8-amino-1,7-diethyl-3-methylpurine-2,6-dione (PubChem CID 82464399) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 8-amino-1,7-diethyl-3-methylpurine-2,6-dione.

Molecular Properties

Compound Name8-amino-1,7-diethyl-3-methylpurine-2,6-dione
PubChem CID82464399
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC Name8-amino-1,7-diethyl-3-methylpurine-2,6-dione
SMILESCCn1c(=O)c2c(nc(N)n2CC)n(C)c1=O
InChIInChI=1S/C10H15N5O2/c1-4-14-6-7(12-9(14)11)13(3)10(17)15(5-2)8(6)16/h4-5H2,1-3H3,(H2,11,12)
InChIKeyXSNQFGBQKJCMNV-UHFFFAOYSA-N
XLogP-0.48
TPSA87.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1,7-diethyl-3-methyl-2,6-dioxopurine-8-carboxylic acid
CID 82464410
1,7-diethyl-3-methyl-8-(methylaminomethyl)purine-2,6-dione
CID 82464413
8-amino-1,7-dibenzyl-3-methylpurine-2,6-dione
CID 1097773
8-(chloromethyl)-1-ethyl-3,7-dimethylpurine-2,6-dione
CID 71396865
1-(bromomethyl)-8-chloro-7-ethyl-3-methylpurine-2,6-dione
CID 67170826
1-ethyl-3,7-dimethyl-8-(trifluoromethyl)purine-2,6-dione
CID 86292478
1-(2-amino-2-methylpropyl)-7-ethyl-3,8-dimethylpurine-2,6-dione
CID 82466472
1-(2-amino-2-methylpropyl)-7,8-diethyl-3-methylpurine-2,6-dione
CID 82466482
8-amino-1-ethyl-3-(3-methoxypropyl)-7-methylpurine-2,6-dione
CID 82465130
8-bromo-1-butyl-7-ethyl-3-methylpurine-2,6-dione
CID 90440976
3-(7-ethyl-3,8-dimethyl-2,6-dioxopurin-1-yl)propanenitrile
CID 51058636
1-ethyl-3,7-dimethyl-8-(pentylamino)purine-2,6-dione
CID 45496891

Frequently Asked Questions

What is the IUPAC name of 8-amino-1,7-diethyl-3-methylpurine-2,6-dione?
The IUPAC name of 8-amino-1,7-diethyl-3-methylpurine-2,6-dione (CID 82464399) is 8-amino-1,7-diethyl-3-methylpurine-2,6-dione.
What is the SMILES notation for 8-amino-1,7-diethyl-3-methylpurine-2,6-dione?
The canonical SMILES for 8-amino-1,7-diethyl-3-methylpurine-2,6-dione is CCn1c(=O)c2c(nc(N)n2CC)n(C)c1=O.
What is the InChIKey of 8-amino-1,7-diethyl-3-methylpurine-2,6-dione?
The InChIKey is XSNQFGBQKJCMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2/c1-4-14-6-7(12-9(14)11)13(3)10(17)15(5-2)8(6)16/h4-5H2,1-3H3,(H2,11,12).
What are the key properties of 8-amino-1,7-diethyl-3-methylpurine-2,6-dione?
8-amino-1,7-diethyl-3-methylpurine-2,6-dione has a molecular weight of 237.26 g/mol, XLogP of -0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-1,7-diethyl-3-methylpurine-2,6-dione is sourced from PubChem (CID 82464399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).