4-Chloro-5H-pyrrolo[3,2-d]pyrimidine-6-carboxylic Acid Ethyl Ester - CAS 1638760-02-7
Catalog: |
BB069835 |
Product Name: |
4-Chloro-5H-pyrrolo[3,2-d]pyrimidine-6-carboxylic Acid Ethyl Ester |
CAS: |
1638760-02-7 |
Synonyms: |
Ethyl 4-Chloro-5H-pyrrolo[3,2-d]pyrimidine-6-carboxylate |
IUPAC Name: | ethyl 4-chloro-5H-pyrrolo[3,2-d]pyrimidine-6-carboxylate |
Description: | 4-Chloro-5H-pyrrolo[3,2-d]pyrimidine-6-carboxylic Acid Ethyl Ester is an organic building block that is made from 4-Chloro-5H-pyrrolo[3,2-d]pyrimidine (C380040), which is a chlorinated pyrrolopyrimidine used in the preparation of compounds with antibacterial and antitumor activities. |
Molecular Weight: | 225.63 |
Molecular Formula: | C9H8ClN3O2 |
Canonical SMILES: | CCOC(=O)C1=CC2=C(N1)C(=NC=N2)Cl |
InChI: | InChI=1S/C9H8ClN3O2/c1-2-15-9(14)6-3-5-7(13-6)8(10)12-4-11-5/h3-4,13H,2H2,1H3 |
InChI Key: | BPIURKULUNOLCK-UHFFFAOYSA-N |
References: | Sizova, O.S. et al. Khim.-Farmat. Zhur., 16, 1338 (1982). |
Complexity: | 252 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 225.0305042 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 225.0305042 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 67.9Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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