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100644-66-4 | 1H-Pyrazolo[3,4-d]pyrimidin-6-amine, 4-chloro-1-methyl-
CAS No: 100644-66-4 Catalog No: AG0002K7 MDL No:MFCD18793423
Product Description
Catalog Number:
AG0002K7
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
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
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