Basic information
- CAS
862730-04-9- Standard SMILES
CC(C)n1nc(I)c2c(N)ncnc21- InChIKey
OZULUFUHMFFLQF-UHFFFAOYSA-N- Molecular formula
- C8H10IN5
- Average molar mass
- 303.1 g/mol
- Monoisotopic mass
- 302.99809332
Names & identifiers
- Preferred name
- 3-iodo-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
- IUPAC
- 3-iodo-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
- English name
- 3-Iodo-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
- Molecular formula
- C8H10IN5
- Molecular weight
- 303.1
Names & synonyms
3-iodo-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine862730-04-9C8H10IN5MFCD121968663-iodo-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine1H-Pyrazolo[3,4-d]pyrimidin-4-amine, 3-iodo-1-(1-methylethyl)-SCHEMBL868687DTXSID806480053-Iodo-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine3-Iodo-1-isopropyl-1H-pyrazolo[34-d]pyrimidin-4-amineAKOS015998914CS-W019087
Show more names
DS-18497SY102359DB-128395F2131443-iodo-1-isopropyl-pyrazolo[3,4-d]pyrimidin-4-amine3-iodo-1-isopropyl-1H-pyrazolo[3,4-d] pyrimidin-4-amine3-iodo-1-(1-methylethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Database identifiers
- CAS
862730-04-9- PubChem CID
- 24905337
- DTXSID
DTXSID80648005- Nikkaji
- J2.771.999F
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 212
Physicochemical properties
- Melting point
- 203 · 203-204 °C
- Boiling point
- 419.5 · 419.5±40.0 °C(Predicted)
- Density
- 2.13 · 2.13±0.1 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- pka
- 3.63 · 3.63±0.30(Predicted)
- Appearance
- Light yellow to yellow Solid
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers50 total
上海康恩博医药科技有限公司17510465506 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
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南通菡芳生物科技有限公司[email protected] 18017580634 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
Related reactions
176 records
Compound notes
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