8-amino-3-ethyl-7-methylpurine-2,6-dione

C8H11N5O2 — CID 82463984

IUPAC8-amino-3-ethyl-7-methylpurine-2,6-dione
SMILESCCn1c(=O)[nH]c(=O)c2c1nc(N)n2C
InChIInChI=1S/C8H11N5O2/c1-3-13-5-4(6(14)11-8(13)15)12(2)7(9)10-5/h3H2,1-2H3,(H2,9,10)(H,11,14,15)
InChIKeyGQSRASNCKJQHMX-UHFFFAOYSA-N
MW209.21 g/mol
LogP-0.97
Rot. Bonds1

About 8-amino-3-ethyl-7-methylpurine-2,6-dione

8-amino-3-ethyl-7-methylpurine-2,6-dione (PubChem CID 82463984) has the molecular formula C8H11N5O2 and a molecular weight of 209.21 g/mol. Its IUPAC name is 8-amino-3-ethyl-7-methylpurine-2,6-dione.

Molecular Properties

Compound Name8-amino-3-ethyl-7-methylpurine-2,6-dione
PubChem CID82463984
Molecular FormulaC8H11N5O2
Molecular Weight209.21 g/mol
Exact Mass209.09
IUPAC Name8-amino-3-ethyl-7-methylpurine-2,6-dione
SMILESCCn1c(=O)[nH]c(=O)c2c1nc(N)n2C
InChIInChI=1S/C8H11N5O2/c1-3-13-5-4(6(14)11-8(13)15)12(2)7(9)10-5/h3H2,1-2H3,(H2,9,10)(H,11,14,15)
InChIKeyGQSRASNCKJQHMX-UHFFFAOYSA-N
XLogP-0.97
TPSA98.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 5-0.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-ethyl-7-methyl-8-(methylamino)purine-2,6-dione
CID 82463994
8-amino-7-ethyl-3-methylpurine-2,6-dione;ethenamine;molecular hydrogen
CID 143283838
8-bromo-3,7-diethylpurine-2,6-dione
CID 82464024
8-amino-7-(2-hydroxyethyl)-3-methylpurine-2,6-dione
CID 787610
CID 70394706
CID 70394706
8-(1-aminoethyl)-3-butyl-7-methylpurine-2,6-dione
CID 82464143
8-amino-7-[(2R)-butan-2-yl]-3-methylpurine-2,6-dione
CID 776144
8-(2-aminoethylamino)-7-methyl-3-propylpurine-2,6-dione
CID 82464133
8-(aminomethyl)-7-ethyl-3-(2-methoxyethyl)purine-2,6-dione
CID 82465449
7-(3-aminopropyl)-3-ethylpurine-2,6-dione
CID 82465591
8-amino-3-methyl-7-(2-methylprop-2-enyl)purine-2,6-dione
CID 776805
8-amino-1-ethyl-3-(3-methoxypropyl)-7-methylpurine-2,6-dione
CID 82465130

Frequently Asked Questions

What is the IUPAC name of 8-amino-3-ethyl-7-methylpurine-2,6-dione?
The IUPAC name of 8-amino-3-ethyl-7-methylpurine-2,6-dione (CID 82463984) is 8-amino-3-ethyl-7-methylpurine-2,6-dione.
What is the SMILES notation for 8-amino-3-ethyl-7-methylpurine-2,6-dione?
The canonical SMILES for 8-amino-3-ethyl-7-methylpurine-2,6-dione is CCn1c(=O)[nH]c(=O)c2c1nc(N)n2C.
What is the InChIKey of 8-amino-3-ethyl-7-methylpurine-2,6-dione?
The InChIKey is GQSRASNCKJQHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O2/c1-3-13-5-4(6(14)11-8(13)15)12(2)7(9)10-5/h3H2,1-2H3,(H2,9,10)(H,11,14,15).
What are the key properties of 8-amino-3-ethyl-7-methylpurine-2,6-dione?
8-amino-3-ethyl-7-methylpurine-2,6-dione has a molecular weight of 209.21 g/mol, XLogP of -0.97, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-3-ethyl-7-methylpurine-2,6-dione is sourced from PubChem (CID 82463984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).