Basic information
- CAS
722-97-4- Standard SMILES
C=CCC1(CC=C)C(=O)N(C)C(=O)N(C)C1=O- InChIKey
MCTNRBUJWLUDJG-UHFFFAOYSA-N- Molecular formula
- C12H16N2O3
- Average molar mass
- 236.27 g/mol
- Monoisotopic mass
- 236.11609238
Names & identifiers
- Preferred name
- 1,3-Dimethyl-5,5-di-2-propen-1-yl-2,4,6(1H,3H,5H)-pyrimidinetrione
- IUPAC
- 1,3-dimethyl-5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione
- English name
- 1,3-Dimethyl-5,5-diallylhexahydropyrimidine-2,4,6-trione
- Molecular formula
- C12H16N2O3
- Molecular weight
- 236.27
Names & synonyms
Dimethylallobarbital722-97-45,5-Diallyl-1,3-dimethylbarbituric acidBARBITURIC ACID, 5,5-DIALLYL-1,3-DIMETHYL-UUB4TVA5NTNSC-125779DTXSID702225301,3-dimethyl-5,5-di-2-propen-1-yl-2,4,6(1h,3h,5h)-pyrimidinetrioneRefChem:1052875DTXCID00145021DimethyldialN,N-Dimethylallobarbitone
Show more names
Oseltamivir Impurity 68Oseltamivir phosphate impurity K1,3-Dimethyl-5,5-di(2-propenyl)pyrimidine-2,4,6(1H,3H,5H)-trione1,3-dimethyl-5,5-di(prop-2-en-1-yl)pyrimidine-2,4,6(1H,3H,5H)-trione2,4,6(1H,3H,5H)-Pyrimidinetrione, 1,3-dimethyl-5,5-di-2-propen-1-yl-5,5-Diallyl-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione (Oseltamivir Impurity）Oseltamivir?Impurity?29/1,3-Dimethyl-5,5-diallylhexahydropyrimidine-2,4,6-trione/5,5-Diallyl-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
1,3-dimethyl-5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trioneNSC 125779Oseltamivir Impurity 261,3-Dimethyl-5,5-diallylhexahydropyrimidine-2,4,6-trione5,5-diallyl-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione2,4,6(1H,3H,5H)-Pyrimidinetrione, 1,3-dimethyl-5,5-di-2-propenyl-5,5-Diallyl-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione (Oseltamivir Impurity5,5-Diallyl-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione (Oseltamivir Impurity pound(c)
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 57.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 365
Physicochemical properties
- Melting point
- 53 · 53-54 °C
- Boiling point
- 303.1 · 303.1±25.0 °C(Predicted)
- Density
- 1.099 · 1.099±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- pka
- -2.29 · -2.29±0.40(Predicted)
- Appearance
- White to off-white Solid
- InChI
- InChI=1S/C12H16N2O3/c1-5-7-12(8-6-2)9(15)13(3)11(17)14(4)10(12)16/h5-6H,1-2,7-8H2,3-4H3
- InChIKey
- MCTNRBUJWLUDJG-UHFFFAOYSA-N
- SMILES
- C1(=O)N(C)C(=O)C(CC=C)(CC=C)C(=O)N1C
- FDA UNII
- 4 TVA5NT · UUB4TVA5NT
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
Chemistry & industry
Suppliers34 total
天津始加生物医药科技有限公司15022261580 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
希瓦生物科技（广州）有限公司13268215580 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
山东沃德森生物科技有限公司0531-88723173 18596073690 · [email protected]
Moxin Chemicals+86-17320513646 +86-17320513646 · [email protected]
杭州云易国科生物科技有限公司18457506494 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
湖北扬信医药科技有限公司15347293736 · [email protected]
深圳菲斯生物科技有限公司0755-83725350 13380397412 · [email protected]
深圳摩科生化科技有限公司18627923403 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
合肥孚亚生物技术有限公司18096409024 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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