| CAS Number | 1638772-13-0 |
| Catalog Number | AG001UIK(AGN-PC-0WD7H3) |
| Chemical Name | 2-chloro-5,7-dimethyl-7H-pyrrolo[2,3-d]pyrimidine |
| IUPAC Name | 2-chloro-5,7-dimethylpyrrolo[2,3-d]pyrimidine |
| InChI | InChI=1S/C8H8ClN3/c1-5-4-12(2)7-6(5)3-10-8(9)11-7/h3-4H,1-2H3 |
| InChI Key | GMMYPRJUKOJETH-UHFFFAOYSA-N |
| MDL Number | MFCD27987637 |
| Molecular Formula | C8H8ClN3 |
| Molecular Weight | 181.6222 |
| SMILES | Cc1cn(C)c2nc(Cl)ncc12 |
| Synonyms | 2-Chloro-5,7-dimethyl-7H-pyrrolo[2,3-d]pyrimidine,
1638772-13-0,
MFCD27987637,
AKOS030237798,
ZINC238490781,
FCH2516119,
SB14684,
KS-000005U2,
AS-53022,
AX8326629,
CS-0051959,
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| Complexity | 176 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.623g/mol |
| Monoisotopic Mass | 181.041g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 30.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
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