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90185-53-8 | 2-Pyrimidinamine, 4-(6-chloro-1H-purin-2-yl)-N,N-dimethyl-
CAS No: 90185-53-8 Catalog No: AG006GIF MDL No:
Product Description
Catalog Number:
AG006GIF
Chemical Name:
2-Pyrimidinamine, 4-(6-chloro-1H-purin-2-yl)-N,N-dimethyl-
CAS Number:
90185-53-8
Molecular Formula:
C11H10ClN7
Molecular Weight:
275.6970
IUPAC Name:
4-(6-chloro-7H-purin-2-yl)-N,N-dimethylpyrimidin-2-amine
InChI:
InChI=1S/C11H10ClN7/c1-19(2)11-13-4-3-6(16-11)9-17-8(12)7-10(18-9)15-5-14-7/h3-5H,1-2H3,(H,14,15,17,18)
InChI Key:
GOPADDFMLBVJCI-UHFFFAOYSA-N
SMILES:
CN(c1nccc(n1)c1nc2ncnc2c([nH]1)Cl)C
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.069g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
275.7g/mol
Monoisotopic Mass:
275.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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