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1040662-77-8 | 6-Chloro-N-(3,4-dimethylphenyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CAS No: 1040662-77-8 Catalog No: AG01FMR9 MDL No:MFCD11518865
Product Description
Catalog Number:
AG01FMR9
Chemical Name:
6-Chloro-N-(3,4-dimethylphenyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CAS Number:
1040662-77-8
Molecular Formula:
C14H14ClN5
Molecular Weight:
287.7475
MDL Number:
MFCD11518865
IUPAC Name:
6-chloro-N-(3,4-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
InChI:
InChI=1S/C14H14ClN5/c1-8-4-5-10(6-9(8)2)17-12-11-7-16-20(3)13(11)19-14(15)18-12/h4-7H,1-3H3,(H,17,18,19)
InChI Key:
OWNAKPDKZWOIKU-UHFFFAOYSA-N
SMILES:
Clc1nc(Nc2ccc(c(c2)C)C)c2c(n1)n(C)nc2
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.094g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
287.751g/mol
Monoisotopic Mass:
287.094g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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