Basic information
- CAS
3993-79-1- Standard SMILES
Nc1ncc(I)c(=O)[nH]1- InChIKey
COBXLVJRFXFFSL-UHFFFAOYSA-N- Molecular formula
- C4H4IN3O
- Average molar mass
- 237 g/mol
- Monoisotopic mass
- 236.93991
Names & identifiers
- Preferred name
- 2-Amino-4-hydroxy-5-iodopyrimidine
- IUPAC
- 2-amino-5-iodo-1H-pyrimidin-6-one
- English name
- 5-Iodoisocytosine
- Molecular formula
- C4H4IN3O
- Molecular weight
- 237
Names & synonyms
3993-79-12-amino-4-hydroxy-5-iodopyrimidineDTXSID50333577RefChem:255567DTXCID602846672-Amino-5-iodopyrimidin-4(1H)-one5-iodoisocytosine2-amino-5-iodo-1H-pyrimidin-6-oneMFCD305537942-amino-5-iodopyrimidin-4(3h)-one4(1H)-Pyrimidinone, 2-amino-5-iodo-2-amino-5-iodo-1,4-dihydropyrimidin-4-one
Show more names
4(3H)-Pyrimidinone, 2-amino-5-iodo-
2-amino-5-iodopyrimidin-4-olSCHEMBL3253375SCHEMBL3256572COBXLVJRFXFFSL-UHFFFAOYSA-NDAA993792-Amino-5-iodo-4(3H)-pyrimidinoneAKOS015661698AKOS030524164
Database identifiers
- CAS
3993-79-1- PubChem CID
- 512017
- DTXSID
DTXSID50333577- Nikkaji
- J2.477.607G
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 67.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 208
Physicochemical properties
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- Appearance
- White to light yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers11 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
嘉兴市浙嘉生物科技有限公司0573-85609002 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
宝鸡缔都医药化工有限公司029-029-81148929 17792602132 · [email protected]
南京普锐达医药科技有限公司15905142898 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…