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433684-23-2 | 5-Bromo-N,N-diethylpyrimidin-2-amine
CAS No: 433684-23-2 Catalog No: AG003MKE MDL No:MFCD03646011
Product Description
Catalog Number:
AG003MKE
Chemical Name:
5-Bromo-N,N-diethylpyrimidin-2-amine
CAS Number:
433684-23-2
Molecular Formula:
C8H12BrN3
Molecular Weight:
230.1050
MDL Number:
MFCD03646011
IUPAC Name:
5-bromo-N,N-diethylpyrimidin-2-amine
InChI:
InChI=1S/C8H12BrN3/c1-3-12(4-2)8-10-5-7(9)6-11-8/h5-6H,3-4H2,1-2H3
InChI Key:
AKTJBOBIMUJVHD-UHFFFAOYSA-N
SMILES:
CCN(c1ncc(cn1)Br)CC
Properties
Complexity:
120
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.021g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.109g/mol
Monoisotopic Mass:
229.021g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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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