| CAS Number | 91996-89-3 |
| Catalog Number | AG00IGZ5(AGN-PC-0WD41N) |
| Chemical Name | 2-chloro-5H-pyrrolo[3,2-d]pyrimidin-4-amine |
| IUPAC Name | 2-chloro-5H-pyrrolo[3,2-d]pyrimidin-4-amine |
| InChI | InChI=1S/C6H5ClN4/c7-6-10-3-1-2-9-4(3)5(8)11-6/h1-2,9H,(H2,8,10,11) |
| InChI Key | WOBLTXNSFKDMLD-UHFFFAOYSA-N |
| MDL Number | MFCD11520863 |
| Molecular Formula | C6H5ClN4 |
| Molecular Weight | 168.5837 |
| SMILES | NC1=C2C(C=CN2)=NC(Cl)=N1 |
| Synonyms | 2-Chloro-5H-pyrrolo[3,2-d]pyrimidin-4-amine,
91996-89-3,
2-Chloro-1H-pyrrolo[3,2-d]pyrimidin-4-amine,
SCHEMBL4838531,
SCHEMBL4838539,
DTXSID00627377,
ZINC95830745,
AKOS006323680,
AKOS022175444,
AJ-134884,
5H-Pyrrolo[3,2-d]pyrimidin-4-amine, 2-chloro-,
4-Amino-2-chloropyrrolo[3,2-d]pyrimidine,
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| Complexity | 154 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 168.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 168.584g/mol |
| Monoisotopic Mass | 168.02g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 67.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
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Certificate of Analysis
Lot Number