2-(1-Pyrrolidinyl)pyrimidine-5-boronic Acid - CAS 955374-13-7
Catalog: |
BB041755 |
Product Name: |
2-(1-Pyrrolidinyl)pyrimidine-5-boronic Acid |
CAS: |
955374-13-7 |
Synonyms: |
[2-(1-pyrrolidinyl)-5-pyrimidinyl]boronic acid; (2-pyrrolidin-1-ylpyrimidin-5-yl)boronic acid |
IUPAC Name: | (2-pyrrolidin-1-ylpyrimidin-5-yl)boronic acid |
Description: | 2-(1-Pyrrolidinyl)pyrimidine-5-boronic Acid (CAS# 955374-13-7) is a useful research chemical. |
Molecular Weight: | 193.01 |
Molecular Formula: | C8H12N3O2B |
Canonical SMILES: | B(C1=CN=C(N=C1)N2CCCC2)(O)O |
InChI: | InChI=1S/C8H12BN3O2/c13-9(14)7-5-10-8(11-6-7)12-3-1-2-4-12/h5-6,13-14H,1-4H2 |
InChI Key: | SNAOVFKQOOJCHK-UHFFFAOYSA-N |
LogP: | -1.17840 |
Publication Number | Title | Priority Date |
WO-2020239656-A1 | Novel compounds and pharmaceutical compositions thereof for the treatment of hepatitis b | 20190529 |
CN-110177785-A | A kind of dihydroisoquinoliness compound | 20170113 |
WO-2018130152-A1 | Dihydroisoquinoline compound | 20170113 |
AU-2015357596-A1 | Heterocyclic compounds as biogenic amine transport modulators | 20141205 |
CA-2969839-A1 | Heterocyclic compounds as biogenic amine transport modulators | 20141205 |
Complexity: | 179 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 193.1022568 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 193.1022568 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 69.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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