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144174-16-3 | Ethanone, 1-[4-[(6-amino-2-methyl-4-pyrimidinyl)amino]phenyl]-
CAS No: 144174-16-3 Catalog No: AG001J1U MDL No:
Product Description
Catalog Number:
AG001J1U
Chemical Name:
Ethanone, 1-[4-[(6-amino-2-methyl-4-pyrimidinyl)amino]phenyl]-
CAS Number:
144174-16-3
Molecular Formula:
C13H14N4O
Molecular Weight:
242.2765
IUPAC Name:
1-[4-[(6-amino-2-methylpyrimidin-4-yl)amino]phenyl]ethanone
InChI:
InChI=1S/C13H14N4O/c1-8(18)10-3-5-11(6-4-10)17-13-7-12(14)15-9(2)16-13/h3-7H,1-2H3,(H3,14,15,16,17)
InChI Key:
XRTMMJHGSPTSOU-UHFFFAOYSA-N
SMILES:
Nc1cc(Nc2ccc(cc2)C(=O)C)nc(n1)C
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.117g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
242.282g/mol
Monoisotopic Mass:
242.117g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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