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100124-91-2 | 1H-Pyrazolo[3,4-d]pyrimidin-4-amine, N-[(2,4-dichlorophenyl)methyl]-
CAS No: 100124-91-2 Catalog No: AG00010R MDL No:
Product Description
Catalog Number:
AG00010R
Chemical Name:
1H-Pyrazolo[3,4-d]pyrimidin-4-amine, N-[(2,4-dichlorophenyl)methyl]-
CAS Number:
100124-91-2
Molecular Formula:
C12H9Cl2N5
Molecular Weight:
294.1394
IUPAC Name:
N-[(2,4-dichlorophenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
InChI:
InChI=1S/C12H9Cl2N5/c13-8-2-1-7(10(14)3-8)4-15-11-9-5-18-19-12(9)17-6-16-11/h1-3,5-6H,4H2,(H2,15,16,17,18,19)
InChI Key:
WTSHYTYECVWTTA-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)Cl)CNc1ncnc2c1cn[nH]2
NSC Number:
21099
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.024g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
294.139g/mol
Monoisotopic Mass:
293.024g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| 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 |
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