Basic information
- CAS
134039-54-6- Standard SMILES
Cc1c(I)c(=O)n(C)c(=O)n1C- InChIKey
OGGRCIQVWZBFPS-UHFFFAOYSA-N- Molecular formula
- C7H9IN2O2
- Average molar mass
- 280.06 g/mol
- Monoisotopic mass
- 279.97087553
Names & identifiers
- Preferred name
- 5-Iodo-1,3,6-trimethylpyrimidine-2,4(1H,3H)-dione
- IUPAC
- 5-iodo-1,3,6-trimethylpyrimidine-2,4-dione
- English name
- 1,2,3,4-Tetrahydro-5-iodo-1,3,6-trimethyl-2,4-dioxopyrimidine
- Molecular formula
- C7H9IN2O2
- Molecular weight
- 280.06
Names & synonyms
134039-54-65-Iodo-1,3,6-trimethylpyrimidine-2,4(1H,3H)-dioneDTXSID40448543RefChem:303502DTXCID403993645-iodo-1,3,6-trimethylpyrimidine-2,4-dione5-Iodo-1,3,6-trimethyluracil1,2,3,4-tetrahydro-5-iodo-1,3,6-trimethyl-2,4-dioxopyrimidineSCHEMBL16896791,3,6-Trimethyl-5-iodouracil5-iodo-1,3,6-trimethyl uracilOGGRCIQVWZBFPS-UHFFFAOYSA-N
Show more names
5-Iodo-1,3,6-trimethyluracii5-IODO-1,3,6-TRIMETHYLURACIL(WXG02327)2,4(1H,3H)-Pyrimidinedione, 5-iodo-1,3,6-trimethyl-
AKOS015908977
Database identifiers
- CAS
134039-54-6- PubChem CID
- 10923939
- DTXSID
DTXSID40448543- Nikkaji
- J396.840E
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 40.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 285
Physicochemical properties
- Melting point
- 152 · 152-153 °C(Solv: ligroine (8032-32-4))
- Boiling point
- 273 · 273.0±43.0 °C(Predicted)
- Density
- 1.91 · 1.91±0.1 g/cm3(Predicted)
- pka
- -3.51 · -3.51±0.60(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers5 total
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
上海瑞昶医药科技有限公司18621054990
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
上海齐奥化工科技有限公司021-58892003 · [email protected]
Related reactions
5 records
Compound notes
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