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15846-19-2 | 5-Pyrimidinamine, 4-chloro-6-methoxy-
CAS No: 15846-19-2 Catalog No: AG001Q7R MDL No:MFCD01646119
Product Description
Catalog Number:
AG001Q7R
Chemical Name:
5-Pyrimidinamine, 4-chloro-6-methoxy-
CAS Number:
15846-19-2
Molecular Formula:
C5H6ClN3O
Molecular Weight:
159.5736
MDL Number:
MFCD01646119
IUPAC Name:
4-chloro-6-methoxypyrimidin-5-amine
InChI:
InChI=1S/C5H6ClN3O/c1-10-5-3(7)4(6)8-2-9-5/h2H,7H2,1H3
InChI Key:
SDMMBMBLFCTDIJ-UHFFFAOYSA-N
SMILES:
COc1ncnc(c1N)Cl
Properties
Complexity:
113
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.02g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
159.573g/mol
Monoisotopic Mass:
159.02g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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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