Basic information
- CAS
100706-81-8- Standard SMILES
Cn1c(=O)c2c(ncn2CC(=O)N2CCOCC2)n(C)c1=O- InChIKey
YFXPYPAVWWDRJC-UHFFFAOYSA-N- Molecular formula
- C13H17N5O4
- Average molar mass
- 307.31 g/mol
- Monoisotopic mass
- 307.12805404
Overview
structure given in first source
Names & identifiers
- Preferred name
- Teomorfolin
- IUPAC
- 1,3-dimethyl-7-(2-morpholin-4-yl-2-oxoethyl)purine-2,6-dione
- English name
- teomorfolin
- Molecular formula
- C13H17N5O4
- Molecular weight
- 307.31
Names & synonyms
Teomorfolin100706-81-8DTXSID90143475N-(7'-theophylline acetyl)morpholineRefChem:187896DTXCID70659661,3-dimethyl-7-(2-morpholin-4-yl-2-oxoethyl)purine-2,6-dione1,3-dimethyl-7-(2-morpholin-4-yl-2-oxoethyl)-3,7-dihydro-1H-purine-2,6-dione1,3-dimethyl-7-[2-(morpholin-4-yl)-2-oxoethyl]-3,7-dihydro-1H-purine-2,6-dioneN-(7'-Theophyllineacetyl)morpholineCambridge id 58651323,7-Dihydro-1,3-dimethyl-7-(2-(4-morpholinyl)-2-oxoethyl)-1H-purine-2,6-dione
Show more names
1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-(4-morpholinyl)-2-oxoethyl)-
Morpholine, 4-((1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)acetyl)-Oprea1_018143Oprea1_059682MLS000108706SCHEMBL4524392CHEMBL1410265HMS2158F10HMS3314P15
Database identifiers
- CAS
100706-81-8- PubChem CID
- 146962
- DTXSID
DTXSID90143475- ChEMBL
CHEMBL1410265
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 88 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 493
Physicochemical properties
- EWG's Food Scores
- 1 · 1
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…