6-(2,6-dimethylmorpholin-4-yl)-7,9-dimethylpurin-8-one

C13H19N5O2 — CID 163347986

IUPAC6-(2,6-dimethylmorpholin-4-yl)-7,9-dimethylpurin-8-one
SMILESCC1CN(c2ncnc3c2n(C)c(=O)n3C)CC(C)O1
InChIInChI=1S/C13H19N5O2/c1-8-5-18(6-9(2)20-8)12-10-11(14-7-15-12)17(4)13(19)16(10)3/h7-9H,5-6H2,1-4H3
InChIKeyBGUMKISABKUWHE-UHFFFAOYSA-N
MW277.33 g/mol
LogP0.28
Rot. Bonds1

About 6-(2,6-dimethylmorpholin-4-yl)-7,9-dimethylpurin-8-one

6-(2,6-dimethylmorpholin-4-yl)-7,9-dimethylpurin-8-one (PubChem CID 163347986) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is 6-(2,6-dimethylmorpholin-4-yl)-7,9-dimethylpurin-8-one.

Molecular Properties

Compound Name6-(2,6-dimethylmorpholin-4-yl)-7,9-dimethylpurin-8-one
PubChem CID163347986
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name6-(2,6-dimethylmorpholin-4-yl)-7,9-dimethylpurin-8-one
SMILESCC1CN(c2ncnc3c2n(C)c(=O)n3C)CC(C)O1
InChIInChI=1S/C13H19N5O2/c1-8-5-18(6-9(2)20-8)12-10-11(14-7-15-12)17(4)13(19)16(10)3/h7-9H,5-6H2,1-4H3
InChIKeyBGUMKISABKUWHE-UHFFFAOYSA-N
XLogP0.28
TPSA65.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-(2,6-dimethylmorpholin-4-yl)-7,9-dimethylpurin-8-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dimethylmorpholin-4-yl)-7,9-dimethylpurin-8-one?
The IUPAC name of 6-(2,6-dimethylmorpholin-4-yl)-7,9-dimethylpurin-8-one (CID 163347986) is 6-(2,6-dimethylmorpholin-4-yl)-7,9-dimethylpurin-8-one.
What is the SMILES notation for 6-(2,6-dimethylmorpholin-4-yl)-7,9-dimethylpurin-8-one?
The canonical SMILES for 6-(2,6-dimethylmorpholin-4-yl)-7,9-dimethylpurin-8-one is CC1CN(c2ncnc3c2n(C)c(=O)n3C)CC(C)O1.
What is the InChIKey of 6-(2,6-dimethylmorpholin-4-yl)-7,9-dimethylpurin-8-one?
The InChIKey is BGUMKISABKUWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-8-5-18(6-9(2)20-8)12-10-11(14-7-15-12)17(4)13(19)16(10)3/h7-9H,5-6H2,1-4H3.
What are the key properties of 6-(2,6-dimethylmorpholin-4-yl)-7,9-dimethylpurin-8-one?
6-(2,6-dimethylmorpholin-4-yl)-7,9-dimethylpurin-8-one has a molecular weight of 277.33 g/mol, XLogP of 0.28, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dimethylmorpholin-4-yl)-7,9-dimethylpurin-8-one is sourced from PubChem (CID 163347986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).