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1020150-22-4 | Benzamide, 4-amino-N-[4-[(2-amino-6-methyl-4-pyrimidinyl)amino]phenyl]-
CAS No: 1020150-22-4 Catalog No: AG0006BV MDL No:
Product Description
Catalog Number:
AG0006BV
Chemical Name:
Benzamide, 4-amino-N-[4-[(2-amino-6-methyl-4-pyrimidinyl)amino]phenyl]-
CAS Number:
1020150-22-4
Molecular Formula:
C18H18N6O
Molecular Weight:
334.3751
IUPAC Name:
4-amino-N-[4-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]benzamide
InChI:
InChI=1S/C18H18N6O/c1-11-10-16(24-18(20)21-11)22-14-6-8-15(9-7-14)23-17(25)12-2-4-13(19)5-3-12/h2-10H,19H2,1H3,(H,23,25)(H3,20,21,22,24)
InChI Key:
RJUDFXSDFVPVDV-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)C(=O)Nc1ccc(cc1)Nc1cc(C)nc(n1)N
Properties
Complexity:
431
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.154g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
334.383g/mol
Monoisotopic Mass:
334.154g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Selective non-nucleoside inhibitors of human DNA methyltransferases active in cancer including in cancer stem cells. | Journal of medicinal chemistry 20140213 |
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