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823795-52-4 | 4-Pyrimidinamine, 2-(2-fluorophenyl)-N,N-dimethyl-5-(3-pyridinyl)-
CAS No: 823795-52-4 Catalog No: AG0053BF MDL No:
Product Description
Catalog Number:
AG0053BF
Chemical Name:
4-Pyrimidinamine, 2-(2-fluorophenyl)-N,N-dimethyl-5-(3-pyridinyl)-
CAS Number:
823795-52-4
Molecular Formula:
C17H15FN4
Molecular Weight:
294.3262
IUPAC Name:
2-(2-fluorophenyl)-N,N-dimethyl-5-pyridin-3-ylpyrimidin-4-amine
InChI:
InChI=1S/C17H15FN4/c1-22(2)17-14(12-6-5-9-19-10-12)11-20-16(21-17)13-7-3-4-8-15(13)18/h3-11H,1-2H3
InChI Key:
YNYBJCYJQHCLQC-UHFFFAOYSA-N
SMILES:
CN(c1nc(ncc1c1cccnc1)c1ccccc1F)C
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.128g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.333g/mol
Monoisotopic Mass:
294.128g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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