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188987-70-4 | 2,4-Pyrimidinediamine, 6-fluoro-N2,N4-bis(phenylmethyl)-
CAS No: 188987-70-4 Catalog No: AG002HMS MDL No:
Product Description
Catalog Number:
AG002HMS
Chemical Name:
2,4-Pyrimidinediamine, 6-fluoro-N2,N4-bis(phenylmethyl)-
CAS Number:
188987-70-4
Molecular Formula:
C18H17FN4
Molecular Weight:
308.3528
IUPAC Name:
2-N,4-N-dibenzyl-6-fluoropyrimidine-2,4-diamine
InChI:
InChI=1S/C18H17FN4/c19-16-11-17(20-12-14-7-3-1-4-8-14)23-18(22-16)21-13-15-9-5-2-6-10-15/h1-11H,12-13H2,(H2,20,21,22,23)
InChI Key:
WRHOXICHYVGGDP-UHFFFAOYSA-N
SMILES:
Fc1cc(NCc2ccccc2)nc(n1)NCc1ccccc1
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.144g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
308.36g/mol
Monoisotopic Mass:
308.144g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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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