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

C14H23N5O2 — CID 82466482

IUPAC1-(2-amino-2-methylpropyl)-7,8-diethyl-3-methylpurine-2,6-dione
SMILESCCc1nc2c(c(=O)n(CC(C)(C)N)c(=O)n2C)n1CC
InChIInChI=1S/C14H23N5O2/c1-6-9-16-11-10(18(9)7-2)12(20)19(8-14(3,4)15)13(21)17(11)5/h6-8,15H2,1-5H3
InChIKeyYVBCDNKJJOPZDW-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.22
Rot. Bonds4

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

1-(2-amino-2-methylpropyl)-7,8-diethyl-3-methylpurine-2,6-dione (PubChem CID 82466482) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-(2-amino-2-methylpropyl)-7,8-diethyl-3-methylpurine-2,6-dione.

Molecular Properties

Compound Name1-(2-amino-2-methylpropyl)-7,8-diethyl-3-methylpurine-2,6-dione
PubChem CID82466482
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name1-(2-amino-2-methylpropyl)-7,8-diethyl-3-methylpurine-2,6-dione
SMILESCCc1nc2c(c(=O)n(CC(C)(C)N)c(=O)n2C)n1CC
InChIInChI=1S/C14H23N5O2/c1-6-9-16-11-10(18(9)7-2)12(20)19(8-14(3,4)15)13(21)17(11)5/h6-8,15H2,1-5H3
InChIKeyYVBCDNKJJOPZDW-UHFFFAOYSA-N
XLogP0.22
TPSA87.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2-amino-2-methylpropyl)-7-ethyl-3,8-dimethylpurine-2,6-dione
CID 82466472
1,7-diethyl-3-methyl-8-(methylaminomethyl)purine-2,6-dione
CID 82464413
1-(2-amino-2-methylpropyl)-7-ethyl-8-methyl-3-propylpurine-2,6-dione
CID 82466600
8-amino-1,7-diethyl-3-methylpurine-2,6-dione
CID 82464399
7-(2-aminoethyl)-1,3,8-triethylpurine-2,6-dione
CID 82466049
8-(chloromethyl)-1-ethyl-3,7-dimethylpurine-2,6-dione
CID 71396865
7-(2-amino-2-methylpropyl)-1,3-dimethyl-8-propan-2-ylpurine-2,6-dione
CID 82465736
1-(3-aminopropyl)-7-ethyl-8-(methoxymethyl)-3-methylpurine-2,6-dione
CID 82466508
7-[2-(dimethylamino)ethyl]-8-ethyl-1,3-dimethylpurine-2,6-dione
CID 54323379
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
1,7-diethyl-3-methyl-2,6-dioxopurine-8-carboxylic acid
CID 82464410

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-methylpropyl)-7,8-diethyl-3-methylpurine-2,6-dione?
The IUPAC name of 1-(2-amino-2-methylpropyl)-7,8-diethyl-3-methylpurine-2,6-dione (CID 82466482) is 1-(2-amino-2-methylpropyl)-7,8-diethyl-3-methylpurine-2,6-dione.
What is the SMILES notation for 1-(2-amino-2-methylpropyl)-7,8-diethyl-3-methylpurine-2,6-dione?
The canonical SMILES for 1-(2-amino-2-methylpropyl)-7,8-diethyl-3-methylpurine-2,6-dione is CCc1nc2c(c(=O)n(CC(C)(C)N)c(=O)n2C)n1CC.
What is the InChIKey of 1-(2-amino-2-methylpropyl)-7,8-diethyl-3-methylpurine-2,6-dione?
The InChIKey is YVBCDNKJJOPZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-6-9-16-11-10(18(9)7-2)12(20)19(8-14(3,4)15)13(21)17(11)5/h6-8,15H2,1-5H3.
What are the key properties of 1-(2-amino-2-methylpropyl)-7,8-diethyl-3-methylpurine-2,6-dione?
1-(2-amino-2-methylpropyl)-7,8-diethyl-3-methylpurine-2,6-dione has a molecular weight of 293.37 g/mol, XLogP of 0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-methylpropyl)-7,8-diethyl-3-methylpurine-2,6-dione is sourced from PubChem (CID 82466482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).