7-(aminomethyl)-1,3-dimethylpurine-2,6-dione

C8H11N5O2 — CID 22105142

IUPAC7-(aminomethyl)-1,3-dimethylpurine-2,6-dione
SMILESCn1c(=O)c2c(ncn2CN)n(C)c1=O
InChIInChI=1S/C8H11N5O2/c1-11-6-5(13(3-9)4-10-6)7(14)12(2)8(11)15/h4H,3,9H2,1-2H3
InChIKeyZUAJGMLBWVGZCX-UHFFFAOYSA-N
MW209.21 g/mol
LogP-1.65
Rot. Bonds1

About 7-(aminomethyl)-1,3-dimethylpurine-2,6-dione

7-(aminomethyl)-1,3-dimethylpurine-2,6-dione (PubChem CID 22105142) has the molecular formula C8H11N5O2 and a molecular weight of 209.21 g/mol. Its IUPAC name is 7-(aminomethyl)-1,3-dimethylpurine-2,6-dione.

Molecular Properties

Compound Name7-(aminomethyl)-1,3-dimethylpurine-2,6-dione
PubChem CID22105142
Molecular FormulaC8H11N5O2
Molecular Weight209.21 g/mol
Exact Mass209.09
IUPAC Name7-(aminomethyl)-1,3-dimethylpurine-2,6-dione
SMILESCn1c(=O)c2c(ncn2CN)n(C)c1=O
InChIInChI=1S/C8H11N5O2/c1-11-6-5(13(3-9)4-10-6)7(14)12(2)8(11)15/h4H,3,9H2,1-2H3
InChIKeyZUAJGMLBWVGZCX-UHFFFAOYSA-N
XLogP-1.65
TPSA87.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 5-1.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

7-(2-aminoethyl)-1,3-dimethylpurine-2,6-dione;hydrochloride
CID 2965224
ethane;7-ethyl-1,3-dimethylpurine-2,6-dione
CID 145188731
1,3-dimethyl-7-(3-oxobutyl)purine-2,6-dione
CID 10634405
7-(3-bromobutyl)-1,3-dimethylpurine-2,6-dione
CID 21320137
7-(2,2-dimethoxyethyl)-1,3-dimethylpurine-2,6-dione
CID 140979198
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N'-hydroxyethanimidamide
CID 3057490
7-(15-hydroxypentadecyl)-1,3-dimethylpurine-2,6-dione
CID 67820115
7-[2-[3-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethoxy]propoxy]ethyl]-1,3-dimethylpurine-2,6-dione
CID 121334074
7-[2-(diethylamino)ethyl]-1,3-dimethylpurine-2,6-dione;hydrochloride
CID 28328
7-(3-chloro-3-hydroxypropyl)-1,3-dimethylpurine-2,6-dione
CID 70482858
1,3,7-trimethylpurine-2,6-dione
CID 131953138
1-(1,3-dimethyl-2,6-dioxopurin-7-yl)propan-2-yl-trimethylazanium iodide
CID 110175939

Frequently Asked Questions

What is the IUPAC name of 7-(aminomethyl)-1,3-dimethylpurine-2,6-dione?
The IUPAC name of 7-(aminomethyl)-1,3-dimethylpurine-2,6-dione (CID 22105142) is 7-(aminomethyl)-1,3-dimethylpurine-2,6-dione.
What is the SMILES notation for 7-(aminomethyl)-1,3-dimethylpurine-2,6-dione?
The canonical SMILES for 7-(aminomethyl)-1,3-dimethylpurine-2,6-dione is Cn1c(=O)c2c(ncn2CN)n(C)c1=O.
What is the InChIKey of 7-(aminomethyl)-1,3-dimethylpurine-2,6-dione?
The InChIKey is ZUAJGMLBWVGZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O2/c1-11-6-5(13(3-9)4-10-6)7(14)12(2)8(11)15/h4H,3,9H2,1-2H3.
What are the key properties of 7-(aminomethyl)-1,3-dimethylpurine-2,6-dione?
7-(aminomethyl)-1,3-dimethylpurine-2,6-dione has a molecular weight of 209.21 g/mol, XLogP of -1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(aminomethyl)-1,3-dimethylpurine-2,6-dione is sourced from PubChem (CID 22105142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).