| CAS Number | 1072027-36-1 |
| Catalog Number | AG003K28(AGN-PC-0CFIBQ) |
| Chemical Name | 4-(4-Boc-1-piperazinyl)-5-bromo-7H-pyrrolo[2,3-d]pyrimidine |
| IUPAC Name | tert-butyl 4-(5-bromo-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate |
| InChI | InChI=1S/C15H20BrN5O2/c1-15(2,3)23-14(22)21-6-4-20(5-7-21)13-11-10(16)8-17-12(11)18-9-19-13/h8-9H,4-7H2,1-3H3,(H,17,18,19) |
| InChI Key | CLUNNCWOKMEGMR-UHFFFAOYSA-N |
| MDL Number | MFCD18642459 |
| Molecular Formula | C15H20BrN5O2 |
| Molecular Weight | 382.2556 |
| SMILES | CC(C)(C)OC(=O)N1CCN(CC1)C1=C2C(Br)=CNC2=NC=N1 |
| Synonyms | 4-(4-Boc-1-piperazinyl)-5-bromo-7H-pyrrolo[2,3-d]pyrimidine,
1072027-36-1,
C15H20BrN5O2,
SCHEMBL2253309,
KS-00000DA2,
5967AJ,
MFCD18642459,
ZINC90635889,
AKOS025404293,
TRA0089762,
AK187223,
DS-10103,
SY019889,
TC-307515,
CS-0060953,
K-0556,
MFCD18642459 (97+%),
tert-butyl 4-(5-bromo-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate,
150255-96-2,
|
| Complexity | 436 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 381.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 382.262g/mol |
| Monoisotopic Mass | 381.08g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 74.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number