200,000+ products from a single source!
sales@angenechem.com
180741-03-1 | Ethanone, 1-[3-[(2-amino-6-methyl-4-pyrimidinyl)amino]phenyl]-
CAS No: 180741-03-1 Catalog No: AG0022AJ MDL No:
Product Description
Catalog Number:
AG0022AJ
Chemical Name:
Ethanone, 1-[3-[(2-amino-6-methyl-4-pyrimidinyl)amino]phenyl]-
CAS Number:
180741-03-1
Molecular Formula:
C13H14N4O
Molecular Weight:
242.2765
IUPAC Name:
1-[3-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]ethanone
InChI:
InChI=1S/C13H14N4O/c1-8-6-12(17-13(14)15-8)16-11-5-3-4-10(7-11)9(2)18/h3-7H,1-2H3,(H3,14,15,16,17)
InChI Key:
ADTBYKSPVPWUCT-UHFFFAOYSA-N
SMILES:
Cc1cc(Nc2cccc(c2)C(=O)C)nc(n1)N
Properties
Complexity:
297
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
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.