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Home Aminos 2-({5,6-dimethylthieno[2,3-d]pyrimidin-4-yl}amino)propanoic acid

2-({5,6-dimethylthieno[2,3-d]pyrimidin-4-yl}amino)propanoic acid

CAS No.:
955966-34-4
Catalog Number:
AG01ELGE
Molecular Formula:
C11H13N3O2S
Molecular Weight:
251.3048
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Product Description
Catalog Number:
AG01ELGE
Chemical Name:
2-({5,6-dimethylthieno[2,3-d]pyrimidin-4-yl}amino)propanoic acid
CAS Number:
955966-34-4
Molecular Formula:
C11H13N3O2S
Molecular Weight:
251.3048
IUPAC Name:
2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid
InChI:
InChI=1S/C11H13N3O2S/c1-5-7(3)17-10-8(5)9(12-4-13-10)14-6(2)11(15)16/h4,6H,1-3H3,(H,15,16)(H,12,13,14)
InChI Key:
LNPUNNQQEDZGFY-UHFFFAOYSA-N
SMILES:
OC(=O)C(Nc1ncnc2c1c(C)c(s2)C)C
Properties
Complexity:
302  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.073g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
251.304g/mol
Monoisotopic Mass:
251.073g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
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
Properties