Ethyl 2-Amino-4-chloro-5H-pyrrolo[3,4-d]pyrimidine-6(7H)-carboxylate - CAS 1046861-17-9
Catalog: |
BB001461 |
Product Name: |
Ethyl 2-Amino-4-chloro-5H-pyrrolo[3,4-d]pyrimidine-6(7H)-carboxylate |
CAS: |
1046861-17-9 |
Synonyms: |
2-amino-4-chloro-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylic acid ethyl ester; ethyl 2-amino-4-chloro-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate |
IUPAC Name: | ethyl 2-amino-4-chloro-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate |
Description: | Ethyl 2-Amino-4-chloro-5H-pyrrolo[3,4-d]pyrimidine-6(7H)-carboxylate (CAS# 1046861-17-9) is a useful research chemical. |
Molecular Weight: | 242.66 |
Molecular Formula: | C9H11ClN4O2 |
Canonical SMILES: | CCOC(=O)N1CC2=C(C1)N=C(N=C2Cl)N |
InChI: | InChI=1S/C9H11ClN4O2/c1-2-16-9(15)14-3-5-6(4-14)12-8(11)13-7(5)10/h2-4H2,1H3,(H2,11,12,13) |
InChI Key: | JBAHBQSAVOXVPF-UHFFFAOYSA-N |
LogP: | 1.05230 |
Publication Number | Title | Priority Date |
CA-2732922-A1 | 2-amino pyrimidine compounds as potent hsp-90 inhibitors | 20080813 |
EP-2331544-A1 | 2-amino pyrimidine compounds as potent hsp-90 inhibitors | 20080813 |
JP-2011530580-A | 2-Aminopyrimidine compounds as potent HSP-90 inhibitors | 20080813 |
US-2010041681-A1 | 2-amino pyrimidine compounds as potent hsp-90 inhibitors | 20080813 |
US-8080556-B2 | 2-amino pyrimidine compounds as potent HSP-90 inhibitors | 20080813 |
Complexity: | 278 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 242.0570533 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 242.0570533 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 81.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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