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130866-84-1 | 2-Pyrimidinamine, 4,6-difluoro-N-(phenylmethyl)-
CAS No: 130866-84-1 Catalog No: AG000V1S MDL No:
Product Description
Catalog Number:
AG000V1S
Chemical Name:
2-Pyrimidinamine, 4,6-difluoro-N-(phenylmethyl)-
CAS Number:
130866-84-1
Molecular Formula:
C11H9F2N3
Molecular Weight:
221.2061
IUPAC Name:
N-benzyl-4,6-difluoropyrimidin-2-amine
InChI:
InChI=1S/C11H9F2N3/c12-9-6-10(13)16-11(15-9)14-7-8-4-2-1-3-5-8/h1-6H,7H2,(H,14,15,16)
InChI Key:
DEXFDWDQRUGQPH-UHFFFAOYSA-N
SMILES:
Fc1cc(F)nc(n1)NCc1ccccc1
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.076g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.211g/mol
Monoisotopic Mass:
221.076g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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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