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100644-66-4,MFCD18793423
Catalog No.:AA0002HF
100644-66-4 | 1H-Pyrazolo[3,4-d]pyrimidin-6-amine, 4-chloro-1-methyl-
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1g
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$302.00
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Technical Information
Catalog Number:
AA0002HF
Chemical Name:
1H-Pyrazolo[3,4-d]pyrimidin-6-amine, 4-chloro-1-methyl-
CAS Number:
100644-66-4
Molecular Formula:
C6H6ClN5
Molecular Weight:
183.5983
MDL Number:
MFCD18793423
IUPAC Name:
4-chloro-1-methylpyrazolo[3,4-d]pyrimidin-6-amine
InChI:
InChI=1S/C6H6ClN5/c1-12-5-3(2-9-12)4(7)10-6(8)11-5/h2H,1H3,(H2,8,10,11)
InChI Key:
LSZNUJWHYLMPRG-UHFFFAOYSA-N
SMILES:
Nc1nc(Cl)c2c(n1)n(C)nc2
Properties
Computed Properties
 
Complexity:
177  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.031g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
183.599g/mol
Monoisotopic Mass:
183.031g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  

Synonyms
 
100644-66-4 
4-Chloro-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-amine 
DS-9605 
RP03328 
AK167915 
Y6775 
C-0304 
W-204380 
C6H6ClN5 
4-chloro-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-amine, 95% - 1G 1g 
4-Chloro-1-methylpyrazolo[3,4-d]pyrimidin-6-amine 
1H-Pyrazolo[3,4-d]pyrimidin-6-amine, 4-chloro-1-methyl- 
SCHEMBL17889388 
KS-00000SXT 
LSZNUJWHYLMPRG-UHFFFAOYSA-N 
MFCD18793423 
ZINC66322905 
AKOS022704736 
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