Basic information
- CAS
1176001-52-7- Standard SMILES
OB(O)c1cnc(N2CCNCC2)nc1- InChIKey
AZFCYOAKDHUULE-UHFFFAOYSA-N- Molecular formula
- C8H13BN4O2
- Average molar mass
- 208.03 g/mol
- Monoisotopic mass
- 208.1131558
Names & identifiers
- Preferred name
- (2-Piperazin-1-ylpyrimidin-5-yl)boronic acid
- IUPAC
- (2-piperazin-1-ylpyrimidin-5-yl)boronic acid
- English name
- (2-PIPERAZIN-1-YLPYRIMIDIN-5-YL)BORONIC ACID
- Molecular formula
- C8H13BN4O2
- Molecular weight
- 208.03
Names & synonyms
1176001-52-7(2-Piperazin-1-ylpyrimidin-5-yl)boronic acid(2-(Piperazin-1-yl)pyrimidin-5-yl)boronic acid[2-(piperazin-1-yl)pyrimidin-5-yl]boronic acidSCHEMBL16792009AB41299CS-350792-(Piperazin-1-yl)pyrimidine-5-boronic acidB-[2-(1-piperazinyl)-5-pyrimidinyl]-Boronic acidB-[2-(1-Piperazinyl)-5-pyrimidinyl]boronic acidBoronic acid, B-[2-(1-piperazinyl)-5-pyrimidinyl]-
Database identifiers
- CAS
1176001-52-7- PubChem CID
- 71307493
Properties
Computed structural properties
- Topological polar surface area
- 81.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 193
Physicochemical properties
- Boiling point
- 482 · 482.0±55.0 °C(Predicted)
- Density
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- pka
- 2.76 · 2.76±0.19(Predicted)
Chemistry & industry
Suppliers5 total
康姆芘法思（上海）生物科技有限公司021-65232103 17602124823 · [email protected]
上海洪创医药科技有限公司18151128828 · [email protected]
康姆芘法思（上海）生物科技有限公司021-65232103 17602124823 · [email protected]
济南鑫宏泰化学有限公司13000000000 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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