6-Boc-2-(methylsulfonyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine - CAS 365996-87-8
Catalog: |
BB023013 |
Product Name: |
6-Boc-2-(methylsulfonyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine |
CAS: |
365996-87-8 |
Synonyms: |
2-methylsulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylic acid tert-butyl ester; tert-butyl 2-methylsulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate |
IUPAC Name: | tert-butyl 2-methylsulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate |
Description: | 6-Boc-2-(methylsulfonyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (CAS# 365996-87-8) is a useful research chemical. |
Molecular Weight: | 299.35 |
Molecular Formula: | C12H17N3O4S |
Canonical SMILES: | CC(C)(C)OC(=O)N1CC2=CN=C(N=C2C1)S(=O)(=O)C |
InChI: | InChI=1S/C12H17N3O4S/c1-12(2,3)19-11(16)15-6-8-5-13-10(20(4,17)18)14-9(8)7-15/h5H,6-7H2,1-4H3 |
InChI Key: | OWHKZXFLURWFDL-UHFFFAOYSA-N |
Boiling Point: | 481.207 °C at 760 mmHg |
Density: | 1.33 g/cm3 |
LogP: | 2.14950 |
Publication Number | Title | Priority Date |
EP-3782997-A1 | Fused pyrimidine compounds and pharmaceutical compositions thereof for the treatment of fibrotic diseases | 20190819 |
WO-2021032323-A1 | Fused pyrimidine compounds and pharmaceutical compositions thereof for the treatment of fibrotic diseases | 20190819 |
WO-2020191022-A1 | Inhibiting ubiquitin specific peptidase 9x | 20190318 |
WO-2021055668-A1 | Inhibiting ubiquitin specific peptidase 9x | 20190318 |
WO-2020139916-A1 | Inhibiting ubiquitin specific peptidase 9x | 20181226 |
Complexity: | 480 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 299.09397721 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 299.09397721 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 97.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.1 |
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