Basic information
- CAS
5089-89-4- Standard SMILES
Cn1c(=O)c2c(ncn2CN2CCOCC2)n(C)c1=O- InChIKey
HGLLQAPXHCAZBP-UHFFFAOYSA-N- Molecular formula
- C12H17N5O3
- Average molar mass
- 279.3 g/mol
- Monoisotopic mass
- 279.13313942
Overview
structure
Names & identifiers
- Preferred name
- 3,7-Dihydro-1,3-dimethyl-7-(4-morpholinylmethyl)-1H-purine-2,6-dione
- IUPAC
- 1,3-dimethyl-7-(morpholin-4-ylmethyl)purine-2,6-dione
- English name
- 3,7-dihydro-1,3-dimethyl-7-(morpholinomethyl)-1H-purine-2,6-dione
- Molecular formula
- C12H17N5O3
- Molecular weight
- 279.29508
Names & synonyms
7-Morpholinomethyltheophylline5089-89-41,3-Dimethyl-7-morpholinomethylxanthineS1F9HMA2TPNSC-1308422-(1,3-Dimethylxanthinyl-7-methyl)-4-methylmorpholineDTXSID601989121H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(4-morpholinylmethyl)-RefChem:910768DTXCID201214033,7-Dihydro-1,3-dimethyl-7-(4-morpholinylmethyl)-1H-purine-2,6-dione225-808-2
Show more names
3,7-dihydro-1,3-dimethyl-7-(morpholinomethyl)-1H-purine-2,6-dione5089-89-41H-Purine-2,6-dione,3,7-dihydro-1,3-dimethyl-7-(4-morpholinylmethyl)-
XanturilTheophylline, 7-(morpholinomethyl)-1,3-Dimethyl-7-(morpholinomethyl)-1H-purine-2,6(3H,7H)-dione1,3-dimethyl-7-[(morpholin-4-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione1,3-dimethyl-7-(morpholin-4-ylmethyl)purine-2,6-dioneUNII-S1F9HMA2TPEINECS 225-808-2NSC 130842
Database identifiers
- CAS
5089-89-4
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 70.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 412
Physicochemical properties
- FDA UNII
- 1 F9HMA2TP · S1F9HMA2TP
Chemistry & industry
Suppliers1 total
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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