1,3-dimethyl-7-(2-morpholin-4-ylethyl)purine-2,6-dione

C13H19N5O3 — CID 736564

IUPAC1,3-dimethyl-7-(2-morpholin-4-ylethyl)purine-2,6-dione
SMILESCn1c(=O)c2c(ncn2CCN2CCOCC2)n(C)c1=O
InChIInChI=1S/C13H19N5O3/c1-15-11-10(12(19)16(2)13(15)20)18(9-14-11)4-3-17-5-7-21-8-6-17/h9H,3-8H2,1-2H3
InChIKeyVGOADUWOBFERKB-UHFFFAOYSA-N
MW293.33 g/mol
LogP-1.23
Rot. Bonds3

About 1,3-dimethyl-7-(2-morpholin-4-ylethyl)purine-2,6-dione

1,3-dimethyl-7-(2-morpholin-4-ylethyl)purine-2,6-dione (PubChem CID 736564) has the molecular formula C13H19N5O3 and a molecular weight of 293.33 g/mol. Its IUPAC name is 1,3-dimethyl-7-(2-morpholin-4-ylethyl)purine-2,6-dione.

Molecular Properties

Compound Name1,3-dimethyl-7-(2-morpholin-4-ylethyl)purine-2,6-dione
PubChem CID736564
Molecular FormulaC13H19N5O3
Molecular Weight293.33 g/mol
Exact Mass293.15
IUPAC Name1,3-dimethyl-7-(2-morpholin-4-ylethyl)purine-2,6-dione
SMILESCn1c(=O)c2c(ncn2CCN2CCOCC2)n(C)c1=O
InChIInChI=1S/C13H19N5O3/c1-15-11-10(12(19)16(2)13(15)20)18(9-14-11)4-3-17-5-7-21-8-6-17/h9H,3-8H2,1-2H3
InChIKeyVGOADUWOBFERKB-UHFFFAOYSA-N
XLogP-1.23
TPSA74.29 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 5-1.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1,3-dimethyl-7-(2-morpholin-4-ylethyl)purine-2,6-dione with MolForge

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

Launch Full Analysis

Related Compounds

7-[2-(4-acetylpiperazin-1-yl)ethyl]-1,3-dimethylpurine-2,6-dione
CID 31310638
1,3-dimethyl-7-[2-(5-oxo-1,4-diazepan-1-yl)ethyl]purine-2,6-dione
CID 56809659
1,3-dimethyl-7-(3-piperidin-1-ylpropyl)purine-2,6-dione
CID 110175958
1,3-dimethyl-7-[[4-(morpholin-4-ylmethyl)-1,3-dioxolan-2-yl]methyl]purine-2,6-dione
CID 3061950
1,3-dimethyl-7-[2-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)ethyl]purine-2,6-dione
CID 163309791
1,3-dimethyl-7-[2-[4-(4-nitrophenyl)piperazin-1-yl]ethyl]purine-2,6-dione;hydroiodide
CID 51042419
1,3-dimethyl-7-(1,4,7,10,13-pentaoxacyclopentadec-2-ylmethyl)purine-2,6-dione
CID 560178
7-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-1,3-dimethylpurine-2,6-dione
CID 3070238
bis(7-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-1,3-dimethylpurine-2,6-dione);methane;hydrochloride
CID 158526882
1,3-dimethyl-7-[2-[4-(6-oxo-1H-pyridazin-4-yl)piperazin-1-yl]ethyl]purine-2,6-dione
CID 10430235
7-(2-aminoethyl)-1,3-dimethylpurine-2,6-dione;hydrochloride
CID 2965224
7-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]ethyl]-1,3-dimethylpurine-2,6-dione;hydrochloride
CID 120771351

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-7-(2-morpholin-4-ylethyl)purine-2,6-dione?
The IUPAC name of 1,3-dimethyl-7-(2-morpholin-4-ylethyl)purine-2,6-dione (CID 736564) is 1,3-dimethyl-7-(2-morpholin-4-ylethyl)purine-2,6-dione.
What is the SMILES notation for 1,3-dimethyl-7-(2-morpholin-4-ylethyl)purine-2,6-dione?
The canonical SMILES for 1,3-dimethyl-7-(2-morpholin-4-ylethyl)purine-2,6-dione is Cn1c(=O)c2c(ncn2CCN2CCOCC2)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-7-(2-morpholin-4-ylethyl)purine-2,6-dione?
The InChIKey is VGOADUWOBFERKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O3/c1-15-11-10(12(19)16(2)13(15)20)18(9-14-11)4-3-17-5-7-21-8-6-17/h9H,3-8H2,1-2H3.
What are the key properties of 1,3-dimethyl-7-(2-morpholin-4-ylethyl)purine-2,6-dione?
1,3-dimethyl-7-(2-morpholin-4-ylethyl)purine-2,6-dione has a molecular weight of 293.33 g/mol, XLogP of -1.23, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-7-(2-morpholin-4-ylethyl)purine-2,6-dione is sourced from PubChem (CID 736564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).