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130687-25-1 | 2-Pyrimidinamine, 4-fluoro-6-methoxy-
CAS No: 130687-25-1 Catalog No: AG000UTK MDL No:MFCD00233534
Product Description
Catalog Number:
AG000UTK
Chemical Name:
2-Pyrimidinamine, 4-fluoro-6-methoxy-
CAS Number:
130687-25-1
Molecular Formula:
C5H6FN3O
Molecular Weight:
143.1190
MDL Number:
MFCD00233534
IUPAC Name:
4-fluoro-6-methoxypyrimidin-2-amine
InChI:
InChI=1S/C5H6FN3O/c1-10-4-2-3(6)8-5(7)9-4/h2H,1H3,(H2,7,8,9)
InChI Key:
OTRXRDJKTBCVNS-UHFFFAOYSA-N
SMILES:
COc1cc(F)nc(n1)N
Properties
Complexity:
113
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
143.049g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
143.121g/mol
Monoisotopic Mass:
143.049g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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