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100376-17-8 | 6-Chloro-1-methyl-N-(2-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CAS No: 100376-17-8 Catalog No: AG01FMQK MDL No:MFCD11518859
Product Description
Catalog Number:
AG01FMQK
Chemical Name:
6-Chloro-1-methyl-N-(2-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CAS Number:
100376-17-8
Molecular Formula:
C13H12ClN5
Molecular Weight:
273.7209
MDL Number:
MFCD11518859
IUPAC Name:
6-chloro-1-methyl-N-(2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
InChI:
InChI=1S/C13H12ClN5/c1-8-5-3-4-6-10(8)16-11-9-7-15-19(2)12(9)18-13(14)17-11/h3-7H,1-2H3,(H,16,17,18)
InChI Key:
NNNRJIBKLYARMM-UHFFFAOYSA-N
SMILES:
Clc1nc(Nc2ccccc2C)c2c(n1)n(C)nc2
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.078g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.724g/mol
Monoisotopic Mass:
273.078g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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