3,7-dihydro-1,3-dimethyl-7-(morpholinomethyl)-1H-purine-2,6-dione (CAS 5089-89-4) — formula C12H17N5O3, molecular weight 279.30; category organic chemicals.
| CAS Number | 5089-89-4 |
|---|---|
| Molecular Formula | C12H17N5O3 |
| Molecular Weight | 279.30 |
| LogP | -0.8 |
| Category | Organic Chemicals |
3,7-dihydro-1,3-dimethyl-7-(morpholinomethyl)-1H-purine-2,6-dione is a carbon-based organic compound with CAS registry number 5089-89-4 and molecular formula C12H17N5O3 (molecular weight 279.30), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 5089-89-4
Its molecular formula C12H17N5O3 comprises 12 C, 17 H, 5 N, 3 O atoms.
Also known as: 3,7-dihydro-1,3-dimethyl-7-(morpholinomethyl)-1H-purine-2,6-dione · 3,7-二氢-1,3-二甲基-7-(吗啉代甲基)-1H-嘌呤-2,6-二酮
Category: organic chemicals
The CAS registry number of 3,7-dihydro-1,3-dimethyl-7-(morpholinomethyl)-1H-purine-2,6-dione is 5089-89-4.
Molecular formula C12H17N5O3, molecular weight 279.30.
It is also registered under: 3,7-dihydro-1,3-dimethyl-7-(morpholinomethyl)-1H-purine-2,6-dione, 3,7-二氢-1,3-二甲基-7-(吗啉代甲基)-1H-嘌呤-2,6-二酮.
Category: Organic Chemicals.
Independent reference data for 3,7-dihydro-1,3-dimethyl-7-(morpholinomethyl)-1H-purine-2,6-dione (CAS 5089-89-4), compiled from public chemistry databases.
| CAS 号 | 5089-89-4 |
|---|---|
| PubChem CID | 78773 |
| 分子式 | C12H17N5O3 |
| IUPAC 名称 | 1,3-dimethyl-7-(morpholin-4-ylmethyl)purine-2,6-dione |
| UNII（FDA） | S1F9HMA2TP |
| Molecular Weight | 279.30 |
|---|---|
| XLogP3 | -0.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 279.13313942 |
| Monoisotopic Mass | 279.13313942 |
| Topological Polar Surface Area | 70.9 |
| Heavy Atom Count | 20 |
7-Morpholinomethyltheophylline; 5089-89-4; 1,3-Dimethyl-7-morpholinomethylxanthine; S1F9HMA2TP; NSC-130842; 2-(1,3-Dimethylxanthinyl-7-methyl)-4-methylmorpholine; DTXSID60198912; 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(4-morpholinylmethyl)-; RefChem:910768; DTXCID20121403; 3,7-Dihydro-1,3-dimethyl-7-(4-morpholinylmethyl)-1H-purine-2,6-dione; 225-808-2; Xanturil; Theophylline, 7-(morpholinomethyl)-; 1,3-Dimethyl-7-(morpholinomethyl)-1H-purine-2,6(3H,7H)-dione; 1,3-dimethyl-7-[(morpholin-4-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
3,7-二氢-1,3-二甲基-7-(吗啉代甲基)-1H-嘌呤-2,6-二酮 · CAS 5089-89-4 · C12H17N5O3. UNII S1F9HMA2TP.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.