2-(4-Boc-1-piperazinyl)pyrimidine-5-carbonitrile - CAS 1241898-04-3
Catalog: |
BB005819 |
Product Name: |
2-(4-Boc-1-piperazinyl)pyrimidine-5-carbonitrile |
CAS: |
1241898-04-3 |
Synonyms: |
4-(5-cyano-2-pyrimidinyl)-1-piperazinecarboxylic acid tert-butyl ester; tert-butyl 4-(5-cyanopyrimidin-2-yl)piperazine-1-carboxylate |
IUPAC Name: | tert-butyl 4-(5-cyanopyrimidin-2-yl)piperazine-1-carboxylate |
Description: | 2-(4-Boc-1-piperazinyl)pyrimidine-5-carbonitrile (CAS# 1241898-04-3 ) is a useful research chemical. |
Molecular Weight: | 289.33 |
Molecular Formula: | C14H19N5O2 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCN(CC1)C2=NC=C(C=N2)C#N |
InChI: | InChI=1S/C14H19N5O2/c1-14(2,3)21-13(20)19-6-4-18(5-7-19)12-16-9-11(8-15)10-17-12/h9-10H,4-7H2,1-3H3 |
InChI Key: | RQLQHVJKRYYDJZ-UHFFFAOYSA-N |
LogP: | 1.40828 |
Publication Number | Title | Priority Date |
US-10550105-B2 | Pyridazinones as PARP7 inhibitors | 20180430 |
US-2019330194-A1 | Pyridazinones as parp7 inhibitors | 20180430 |
US-2020123134-A1 | Pyridazinones as parp7 inhibitors | 20180430 |
WO-2019212937-A1 | Pyridazinones as parp7 inhibitors | 20180430 |
AU-2019262927-A1 | Pyridazinones as PARP7 inhibitors | 20180430 |
Complexity: | 409 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 289.15387487 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 289.15387487 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 82.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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