| CAS Number | 1379340-25-6 |
| Catalog Number | AG0017NP(AGN-PC-0WNGYB) |
| Chemical Name | 2-(tert-butyl)-4-chloro-7h-pyrrolo[2,3-d]pyrimidine |
| IUPAC Name | 2-tert-butyl-4-chloro-7H-pyrrolo[2,3-d]pyrimidine |
| InChI | InChI=1S/C10H12ClN3/c1-10(2,3)9-13-7(11)6-4-5-12-8(6)14-9/h4-5H,1-3H3,(H,12,13,14) |
| InChI Key | OZTDRUMVTMLRFV-UHFFFAOYSA-N |
| MDL Number | MFCD20257933 |
| Molecular Formula | C10H12ClN3 |
| Molecular Weight | 209.6754 |
| SMILES | CC(C1=NC2=C(C=CN2)C(Cl)=N1)(C)C |
| Synonyms | 1379340-25-6,
2-tert-Butyl-4-chloro-7H-pyrrolo[2,3-d]pyrimidine,
2-(tert-Butyl)-4-chloro-7H-pyrrolo[2,3-d]pyrimidine,
SCHEMBL16212071,
OZTDRUMVTMLRFV-UHFFFAOYSA-N,
KS-000006EX,
MFCD20257933,
AKOS027251662,
ZINC238145622,
AS-51457,
CS-0051791,
2-(t-Butyl)-4-chloro-7H-pyrrolo[2,3-d]pyrimidine,
7H-Pyrrolo[2,3-d]pyrimidine, 4-chloro-2-(1,1-dimethylethyl)-,
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| Complexity | 214 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.677g/mol |
| Monoisotopic Mass | 209.072g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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