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3680-69-1

3680-69-1 | 4-Chloropyrrolo[2,3-d]Pyrimidine

CAS No: 3680-69-1 Catalog No: AG00340F MDL No:MFCD01686865

Product Description

Catalog Number:
AG00340F
Chemical Name:
4-Chloropyrrolo[2,3-d]Pyrimidine
CAS Number:
3680-69-1
Molecular Formula:
C6H4ClN3
Molecular Weight:
153.5691
MDL Number:
MFCD01686865
IUPAC Name:
4-chloro-7H-pyrrolo[2,3-d]pyrimidine
InChI:
InChI=1S/C6H4ClN3/c7-5-4-1-2-8-6(4)10-3-9-5/h1-3H,(H,8,9,10)
InChI Key:
BPTCCCTWWAUJRK-UHFFFAOYSA-N
SMILES:
Clc1ncnc2c1cc[nH]2
NSC Number:
64952

Properties

Complexity:
130  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.009g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
153.569g/mol
Monoisotopic Mass:
153.009g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  

Literature

Title Journal
Essential biphasic role for JAK3 catalytic activity in IL-2 receptor signaling. Nature chemical biology 20160501
4-Chloro-1H-pyrrolo-[2,3-d]pyrimidine. Acta crystallographica. Section E, Structure reports online 20120901
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Synthesis and biological activity of 5-fluorotubercidin. Nucleosides, nucleotides & nucleic acids 20040101

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