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823796-14-1 | 4-Pyrimidinamine, 2-(2-fluorophenyl)-5-(3-furanyl)-N,N-dimethyl-
CAS No: 823796-14-1 Catalog No: AG0053BA MDL No:
Product Description
Catalog Number:
AG0053BA
Chemical Name:
4-Pyrimidinamine, 2-(2-fluorophenyl)-5-(3-furanyl)-N,N-dimethyl-
CAS Number:
823796-14-1
Molecular Formula:
C16H14FN3O
Molecular Weight:
283.3003
IUPAC Name:
2-(2-fluorophenyl)-5-(furan-3-yl)-N,N-dimethylpyrimidin-4-amine
InChI:
InChI=1S/C16H14FN3O/c1-20(2)16-13(11-7-8-21-10-11)9-18-15(19-16)12-5-3-4-6-14(12)17/h3-10H,1-2H3
InChI Key:
XBCWLJNRLWKMRR-UHFFFAOYSA-N
SMILES:
CN(c1nc(ncc1c1ccoc1)c1ccccc1F)C
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.112g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.306g/mol
Monoisotopic Mass:
283.112g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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