1H-Pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione - CAS 65996-50-1
Catalog: |
BB032874 |
Product Name: |
1H-Pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione |
CAS: |
65996-50-1 |
Synonyms: |
1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione; 1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione |
IUPAC Name: | 1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione |
Description: | Used for the preparation of pyrazolopyrimidine derivatives or analogs thereof as CCR4 function modulators. |
Molecular Weight: | 151.12 |
Molecular Formula: | C6H5N3O2 |
Canonical SMILES: | C1=CNC2=C1NC(=O)NC2=O |
InChI: | InChI=1S/C6H5N3O2/c10-5-4-3(1-2-7-4)8-6(11)9-5/h1-2,7H,(H2,8,9,10,11) |
InChI Key: | BSRITDQWGPSXPQ-UHFFFAOYSA-N |
Boiling Point: | 607.6 °C at 760 mmHg |
Density: | 1.516 g/cm3 |
Appearance: | Light yellow solid |
LogP: | -0.45550 |
Publication Number | Title | Priority Date |
CN-111533746-A | Synthesis method of tofacitinib citrate | 20200529 |
WO-2017205762-A1 | Inhibitors of interleukin-1 receptor-associated kinase | 20160527 |
WO-2017205766-A1 | Inhibitors of interleukin-1 receptor-associated kinase | 20160527 |
US-2019233431-A1 | Thieno-pyrimidine derivatives and uses thereof | 20151203 |
US-10829495-B2 | Thieno-pyrimidine derivatives and uses thereof | 20151203 |
Complexity: | 216 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 151.038176411 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 151.038176411 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 74 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.4 |
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