7H-Pyrrolo[2,3-d]pyrimidine-4-carbonitrile - CAS 1005206-16-5
Catalog: |
BB000249 |
Product Name: |
7H-Pyrrolo[2,3-d]pyrimidine-4-carbonitrile |
CAS: |
1005206-16-5 |
Synonyms: |
7H-pyrrolo[2,3-d]pyrimidine-4-carbonitrile; 7H-pyrrolo[2,3-d]pyrimidine-4-carbonitrile |
IUPAC Name: | 7H-pyrrolo[2,3-d]pyrimidine-4-carbonitrile |
Description: | 7H-Pyrrolo[2,3-d]pyrimidine-4-carbonitrile (CAS# 1005206-16-5) is a useful research chemical. |
Molecular Weight: | 144.13 |
Molecular Formula: | C7H4N4 |
Canonical SMILES: | C1=CNC2=NC=NC(=C21)C#N |
InChI: | InChI=1S/C7H4N4/c8-3-6-5-1-2-9-7(5)11-4-10-6/h1-2,4H,(H,9,10,11) |
InChI Key: | NEVJGNPIKVWRGX-UHFFFAOYSA-N |
Storage: | Sealed in dry, Room Temperature |
LogP: | 0.82958 |
Publication Number | Title | Priority Date |
CN-110022875-A | Therapeutic inhibiting compound | 20160711 |
EP-3481391-A1 | Therapeutic inhibitory compounds | 20160711 |
US-10301284-B2 | Therapeutic inhibitory compounds | 20160711 |
US-2018297984-A1 | Therapeutic inhibitory compounds | 20160711 |
WO-2018011628-A1 | Therapeutic inhibitory compounds | 20160711 |
Complexity: | 194 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 144.043596145 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 144.043596145 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 65.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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