1,3,7-triethyl-8-(methylamino)purine-2,6-dione

C12H19N5O2 — CID 82464428

IUPAC1,3,7-triethyl-8-(methylamino)purine-2,6-dione
SMILESCCn1c(=O)c2c(nc(NC)n2CC)n(CC)c1=O
InChIInChI=1S/C12H19N5O2/c1-5-15-8-9(14-11(15)13-4)16(6-2)12(19)17(7-3)10(8)18/h5-7H2,1-4H3,(H,13,14)
InChIKeyUNOFYVHKWHTFAA-UHFFFAOYSA-N
MW265.32 g/mol
LogP0.46
Rot. Bonds4

About 1,3,7-triethyl-8-(methylamino)purine-2,6-dione

1,3,7-triethyl-8-(methylamino)purine-2,6-dione (PubChem CID 82464428) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 1,3,7-triethyl-8-(methylamino)purine-2,6-dione.

Molecular Properties

Compound Name1,3,7-triethyl-8-(methylamino)purine-2,6-dione
PubChem CID82464428
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name1,3,7-triethyl-8-(methylamino)purine-2,6-dione
SMILESCCn1c(=O)c2c(nc(NC)n2CC)n(CC)c1=O
InChIInChI=1S/C12H19N5O2/c1-5-15-8-9(14-11(15)13-4)16(6-2)12(19)17(7-3)10(8)18/h5-7H2,1-4H3,(H,13,14)
InChIKeyUNOFYVHKWHTFAA-UHFFFAOYSA-N
XLogP0.46
TPSA73.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

7-ethyl-1-methyl-8-(methylamino)-3-propylpurine-2,6-dione
CID 82464656
3-butyl-7-ethyl-1-methyl-8-(methylamino)purine-2,6-dione
CID 82464795
7-ethyl-1,3-dimethyl-8-(methylamino)purine-2,6-dione
CID 719396
1,3-diethyl-8-(3-hydroxypropylamino)-7-methylpurine-2,6-dione
CID 82464460
3-butyl-1-ethyl-8-hydrazinyl-7-methylpurine-2,6-dione
CID 82464779
1,7-diethyl-2,6-dioxo-3-propylpurine-8-carboxylic acid
CID 82464642
3-ethyl-7-methyl-8-(methylamino)purine-2,6-dione
CID 82463994
7-(2-aminoethyl)-1,3,8-triethylpurine-2,6-dione
CID 82466049
3-butan-2-yl-1,7-diethyl-8-(ethylamino)purine-2,6-dione
CID 82464902
3-butyl-1-ethyl-8-(hydroxymethyl)-7-propylpurine-2,6-dione
CID 110882468
1,7-diethyl-3-methyl-8-(methylaminomethyl)purine-2,6-dione
CID 82464413
1,7-dimethyl-8-(methylamino)-3-(2-methylpropyl)purine-2,6-dione
CID 82464966

Frequently Asked Questions

What is the IUPAC name of 1,3,7-triethyl-8-(methylamino)purine-2,6-dione?
The IUPAC name of 1,3,7-triethyl-8-(methylamino)purine-2,6-dione (CID 82464428) is 1,3,7-triethyl-8-(methylamino)purine-2,6-dione.
What is the SMILES notation for 1,3,7-triethyl-8-(methylamino)purine-2,6-dione?
The canonical SMILES for 1,3,7-triethyl-8-(methylamino)purine-2,6-dione is CCn1c(=O)c2c(nc(NC)n2CC)n(CC)c1=O.
What is the InChIKey of 1,3,7-triethyl-8-(methylamino)purine-2,6-dione?
The InChIKey is UNOFYVHKWHTFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-5-15-8-9(14-11(15)13-4)16(6-2)12(19)17(7-3)10(8)18/h5-7H2,1-4H3,(H,13,14).
What are the key properties of 1,3,7-triethyl-8-(methylamino)purine-2,6-dione?
1,3,7-triethyl-8-(methylamino)purine-2,6-dione has a molecular weight of 265.32 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,7-triethyl-8-(methylamino)purine-2,6-dione is sourced from PubChem (CID 82464428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).