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179343-23-8 | Pyrido[2,3-d]pyrimidine-2,7-diamine, 6-(2,6-dibromophenyl)-
CAS No: 179343-23-8 Catalog No: AG0026Y4 MDL No:MFCD12828288
Product Description
Catalog Number:
AG0026Y4
Chemical Name:
Pyrido[2,3-d]pyrimidine-2,7-diamine, 6-(2,6-dibromophenyl)-
CAS Number:
179343-23-8
Molecular Formula:
C13H9Br2N5
Molecular Weight:
395.0521
MDL Number:
MFCD12828288
IUPAC Name:
6-(2,6-dibromophenyl)pyrido[2,3-d]pyrimidine-2,7-diamine
InChI:
InChI=1S/C13H9Br2N5/c14-8-2-1-3-9(15)10(8)7-4-6-5-18-13(17)20-12(6)19-11(7)16/h1-5H,(H4,16,17,18,19,20)
InChI Key:
HGIPWJYTPOHUGK-UHFFFAOYSA-N
SMILES:
Nc1ncc2c(n1)nc(c(c2)c1c(Br)cccc1Br)N
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
394.92g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
395.058g/mol
Monoisotopic Mass:
392.922g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
90.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Literature
| Title | Journal |
|---|---|
| ATP-binding site of bacterial enzymes as a target for antibacterial drug design. | Journal of medicinal chemistry 20110224 |
| Soluble 2-substituted aminopyrido[2,3-d]pyrimidin-7-yl ureas. Structure-activity relationships against selected tyrosine kinases and exploration of in vitro and in vivo anticancer activity. | Journal of medicinal chemistry 20010607 |
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