2-Amino-4-chloro-7H-pyrrolo[2,3-d]pyrimidine - CAS 84955-31-7
Catalog: |
BB037381 |
Product Name: |
2-Amino-4-chloro-7H-pyrrolo[2,3-d]pyrimidine |
CAS: |
84955-31-7 |
Synonyms: |
2-amino-4-chloropyrrolo[2,3-d]pyrimidine; 2-Amino-4-chloro-7H-pyrrolo[2,3-d]pyrimidine; 4-chloro-1H-pyrrolo[2,3-d]pyrimidin-2-amine; 1H-Pyrrolo[2,3-d]pyrimidin-2-amine, 4-chloro-; 2-amino-4-chloro-1H-pyrrolo[2,3-d]pyrimidine |
IUPAC Name: | 4-chloro-7H-pyrrolo[2,3-d]pyrimidin-2-amine |
Description: | 2-Amino-4-chloro-7H-pyrrolo[2,3-d]pyrimidine (CAS# 84955-31-7) is a compound useful in organic synthesis. |
Molecular Weight: | 168.58 |
Molecular Formula: | C6H5ClN4 |
Canonical SMILES: | C1=CNC2=C1C(=NC(=N2)N)Cl |
InChI: | InChI=1S/C6H5ClN4/c7-4-3-1-2-9-5(3)11-6(8)10-4/h1-2H,(H3,8,9,10,11) |
InChI Key: | VIVLSUIQHWGALQ-UHFFFAOYSA-N |
Boiling Point: | 346.6±52.0°C (Predicted) |
Melting Point: | 215-217°C |
Purity: | ≥98% by HPLC |
Density: | 1.82±0.1 g/cm3 (Predicted) |
Solubility: | Soluble in DMSO (Slightly), Methanol (Slightly, Sonicated) |
Appearance: | White to Light Beige Solid |
Storage: | Store at -20°C under inert atmosphere |
MDL: | MFCD07369229 |
LogP: | 1.77470 |
GHS Hazard Statement: | H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P264, P280, P305+P351+P338, and P337+P313 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-110950806-A | Preparation method of pyrimidine cyclic hydroxy chloride by catalysis of tetraethylammonium chloride | 20191114 |
WO-2020121123-A2 | Cyclopentyl nucleoside analogs as anti-virals | 20181212 |
EP-3894395-A2 | Cyclopentyl nucleoside analogs as anti-virals | 20181212 |
KR-20210102364-A | Cyclopentyl Nucleoside Analogs as Antiviral Agents | 20181212 |
WO-2020033282-A1 | Prmt5 inhibitors | 20180807 |
PMID | Publication Date | Title | Journal |
28737909 | 20170824 | Inhibitory Kappa B Kinase α (IKKα) Inhibitors That Recapitulate Their Selectivity in Cells against Isoform-Related Biomarkers | Journal of medicinal chemistry |
16119918 | 20050901 | Regioselective syntheses of 7-nitro-7-deazapurine nucleosides and nucleotides for efficient PCR incorporation | Organic letters |
15455158 | 20041007 | Halogenated 7-deazapurine nucleosides: stereoselective synthesis and conformation of 2'-deoxy-2'-fluoro-beta-D-arabinonucleosides | Organic & biomolecular chemistry |
6547745 | 19840801 | Isomeric N-methyl-7-deazaguanines: synthesis, structural assignment, and inhibitory activity on xanthine oxidase | Journal of medicinal chemistry |
Complexity: | 154 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 168.0202739 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 168.0202739 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 67.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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