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130102-91-9 | Ethanone, 1-[4-amino-2-(4-chlorophenyl)-6-methyl-5-pyrimidinyl]-
CAS No: 130102-91-9 Catalog No: AG000U0M MDL No:
Product Description
Catalog Number:
AG000U0M
Chemical Name:
Ethanone, 1-[4-amino-2-(4-chlorophenyl)-6-methyl-5-pyrimidinyl]-
CAS Number:
130102-91-9
Molecular Formula:
C13H12ClN3O
Molecular Weight:
261.7069
IUPAC Name:
1-[4-amino-2-(4-chlorophenyl)-6-methylpyrimidin-5-yl]ethanone
InChI:
InChI=1S/C13H12ClN3O/c1-7-11(8(2)18)12(15)17-13(16-7)9-3-5-10(14)6-4-9/h3-6H,1-2H3,(H2,15,16,17)
InChI Key:
MEYDQTXPLFHAEL-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)c1nc(C)c(c(n1)N)C(=O)C
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.067g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.709g/mol
Monoisotopic Mass:
261.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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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