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Home > Bromides > 1072027-36-1
1072027-36-1 | 4-(4-BOC-1-PIPERAZINYL)-5-BROMO-7H-PYRROLO[2,3-D]PYRIMIDINE
CAS No: 1072027-36-1 Catalog No: AG003K28 MDL No:MFCD18642459
Product Description
Catalog Number:
AG003K28
Chemical Name:
4-(4-BOC-1-PIPERAZINYL)-5-BROMO-7H-PYRROLO[2,3-D]PYRIMIDINE
CAS Number:
1072027-36-1
Molecular Formula:
C15H20BrN5O2
Molecular Weight:
382.2556
MDL Number:
MFCD18642459
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
SMILES:
O=C(N1CCN(CC1)c1ncnc2c1c(Br)c[nH]2)OC(C)(C)C
Properties
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
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