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199463-20-2 | 2-Pyrimidinamine, 4-chloro-N-(4-fluorophenyl)-5,6-dimethyl-
CAS No: 199463-20-2 Catalog No: AG002C4U MDL No:
Product Description
Catalog Number:
AG002C4U
Chemical Name:
2-Pyrimidinamine, 4-chloro-N-(4-fluorophenyl)-5,6-dimethyl-
CAS Number:
199463-20-2
Molecular Formula:
C12H11ClFN3
Molecular Weight:
251.6872
IUPAC Name:
4-chloro-N-(4-fluorophenyl)-5,6-dimethylpyrimidin-2-amine
InChI:
InChI=1S/C12H11ClFN3/c1-7-8(2)15-12(17-11(7)13)16-10-5-3-9(14)4-6-10/h3-6H,1-2H3,(H,15,16,17)
InChI Key:
GXCRXDFXVDTHGZ-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)Nc1nc(C)c(c(n1)Cl)C
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.063g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.689g/mol
Monoisotopic Mass:
251.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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