5-(1,3-benzodioxol-5-ylmethyl)-2-(nitroamino)-1H-pyrimidin-4-one (CAS 72716-71-3) — formula C12H10N4O5, molecular weight 290.23; category organic chemicals.
| CAS Number | 72716-71-3 |
|---|---|
| Molecular Formula | C12H10N4O5 |
| Molecular Weight | 290.23 |
| LogP | 1 |
| Category | Organic Chemicals |
5-(1,3-benzodioxol-5-ylmethyl)-2-(nitroamino)-1H-pyrimidin-4-one is a carbon-based organic compound with CAS registry number 72716-71-3 and molecular formula C12H10N4O5 (molecular weight 290.23), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 72716-71-3
Its molecular formula C12H10N4O5 comprises 12 C, 10 H, 4 N, 5 O atoms.
Also known as: 5-(1,3-benzodioxol-5-ylmethyl)-2-(nitroamino)-1H-pyrimidin-4-one · 5-(1,3-苯并间二氧杂环己烷-5-基甲基)-2-(硝基氨基)-1H-嘧啶-4-酮
Category: organic chemicals
The CAS registry number of 5-(1,3-benzodioxol-5-ylmethyl)-2-(nitroamino)-1H-pyrimidin-4-one is 72716-71-3.
Molecular formula C12H10N4O5, molecular weight 290.23.
It is also registered under: 5-(1,3-benzodioxol-5-ylmethyl)-2-(nitroamino)-1H-pyrimidin-4-one, 5-(1,3-苯并间二氧杂环己烷-5-基甲基)-2-(硝基氨基)-1H-嘧啶-4-酮.
Category: Organic Chemicals.
Independent reference data for 5-(1,3-benzodioxol-5-ylmethyl)-2-(nitroamino)-1H-pyrimidin-4-one (CAS 72716-71-3), compiled from public chemistry databases.
| CAS 号 | 72716-71-3 |
|---|---|
| PubChem CID | 13505289 |
| 分子式 | C12H10N4O5 |
| IUPAC 名称 | N-[5-(1,3-benzodioxol-5-ylmethyl)-6-oxo-1H-pyrimidin-2-yl]nitramide |
| UNII（FDA） | NS00037397 |
| Molecular Weight | 290.23 |
|---|---|
| XLogP3 | 1 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 290.06511943 |
| Monoisotopic Mass | 290.06511943 |
| Topological Polar Surface Area | 118 |
| Heavy Atom Count | 21 |
72716-71-3; 5-(1,3-Benzodioxol-5-ylmethyl)-2-(nitroamino)-1H-pyrimidin-4-one; N-[5-(1,3-benzodioxol-5-ylmethyl)-6-oxo-1H-pyrimidin-2-yl]nitramide; N-(5-(Benzo[d][1,3]dioxol-5-ylmethyl)-6-oxo-1,6-dihydropyrimidin-2-yl)nitramide; EINECS 276-779-8; DTXSID40223019; CYDVFWXIUURXJS-UHFFFAOYSA-N; NS00037397; N-{5-[(2H-1,3-Benzodioxol-5-yl)methyl]-6-oxo-1,6-dihydropyrimidin-2-yl}nitramide
5-(1,3-苯并间二氧杂环己烷-5-基甲基)-2-(硝基氨基)-1H-嘧啶-4-酮 · CAS 72716-71-3 · C12H10N4O5. UNII NS00037397.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.