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128072-67-3 | Ethanone, 1-(4-amino-6-methyl-2-phenyl-5-pyrimidinyl)-
CAS No: 128072-67-3 Catalog No: AG000XQ4 MDL No:
Product Description
Catalog Number:
AG000XQ4
Chemical Name:
Ethanone, 1-(4-amino-6-methyl-2-phenyl-5-pyrimidinyl)-
CAS Number:
128072-67-3
Molecular Formula:
C13H13N3O
Molecular Weight:
227.2618
IUPAC Name:
1-(4-amino-6-methyl-2-phenylpyrimidin-5-yl)ethanone
InChI:
InChI=1S/C13H13N3O/c1-8-11(9(2)17)12(14)16-13(15-8)10-6-4-3-5-7-10/h3-7H,1-2H3,(H2,14,15,16)
InChI Key:
SSCOMJFZOSOOKU-UHFFFAOYSA-N
SMILES:
CC(=O)c1c(C)nc(nc1N)c1ccccc1
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.106g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.267g/mol
Monoisotopic Mass:
227.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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