7-ethyl-1,3-dimethyl-8-(2-morpholin-4-ylethylsulfanyl)purine-2,6-dione

C15H23N5O3S — CID 981045

IUPAC7-ethyl-1,3-dimethyl-8-(2-morpholin-4-ylethylsulfanyl)purine-2,6-dione
SMILESCCn1c(SCCN2CCOCC2)nc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C15H23N5O3S/c1-4-20-11-12(17(2)15(22)18(3)13(11)21)16-14(20)24-10-7-19-5-8-23-9-6-19/h4-10H2,1-3H3
InChIKeyMIDCCCMGAOQDAC-UHFFFAOYSA-N
MW353.45 g/mol
LogP-0.12
Rot. Bonds5

About 7-ethyl-1,3-dimethyl-8-(2-morpholin-4-ylethylsulfanyl)purine-2,6-dione

7-ethyl-1,3-dimethyl-8-(2-morpholin-4-ylethylsulfanyl)purine-2,6-dione (PubChem CID 981045) has the molecular formula C15H23N5O3S and a molecular weight of 353.45 g/mol. Its IUPAC name is 7-ethyl-1,3-dimethyl-8-(2-morpholin-4-ylethylsulfanyl)purine-2,6-dione.

Molecular Properties

Compound Name7-ethyl-1,3-dimethyl-8-(2-morpholin-4-ylethylsulfanyl)purine-2,6-dione
PubChem CID981045
Molecular FormulaC15H23N5O3S
Molecular Weight353.45 g/mol
Exact Mass353.15
IUPAC Name7-ethyl-1,3-dimethyl-8-(2-morpholin-4-ylethylsulfanyl)purine-2,6-dione
SMILESCCn1c(SCCN2CCOCC2)nc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C15H23N5O3S/c1-4-20-11-12(17(2)15(22)18(3)13(11)21)16-14(20)24-10-7-19-5-8-23-9-6-19/h4-10H2,1-3H3
InChIKeyMIDCCCMGAOQDAC-UHFFFAOYSA-N
XLogP-0.12
TPSA74.29 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 5-0.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 7-ethyl-1,3-dimethyl-8-(2-morpholin-4-ylethylsulfanyl)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

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-1,3-dimethyl-8-(2-morpholin-4-ylethylsulfanyl)purine-2,6-dione?
The IUPAC name of 7-ethyl-1,3-dimethyl-8-(2-morpholin-4-ylethylsulfanyl)purine-2,6-dione (CID 981045) is 7-ethyl-1,3-dimethyl-8-(2-morpholin-4-ylethylsulfanyl)purine-2,6-dione.
What is the SMILES notation for 7-ethyl-1,3-dimethyl-8-(2-morpholin-4-ylethylsulfanyl)purine-2,6-dione?
The canonical SMILES for 7-ethyl-1,3-dimethyl-8-(2-morpholin-4-ylethylsulfanyl)purine-2,6-dione is CCn1c(SCCN2CCOCC2)nc2c1c(=O)n(C)c(=O)n2C.
What is the InChIKey of 7-ethyl-1,3-dimethyl-8-(2-morpholin-4-ylethylsulfanyl)purine-2,6-dione?
The InChIKey is MIDCCCMGAOQDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O3S/c1-4-20-11-12(17(2)15(22)18(3)13(11)21)16-14(20)24-10-7-19-5-8-23-9-6-19/h4-10H2,1-3H3.
What are the key properties of 7-ethyl-1,3-dimethyl-8-(2-morpholin-4-ylethylsulfanyl)purine-2,6-dione?
7-ethyl-1,3-dimethyl-8-(2-morpholin-4-ylethylsulfanyl)purine-2,6-dione has a molecular weight of 353.45 g/mol, XLogP of -0.12, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-1,3-dimethyl-8-(2-morpholin-4-ylethylsulfanyl)purine-2,6-dione is sourced from PubChem (CID 981045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).