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Home Other Building Blocks 5,6-dimethyl-7-(3-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

5,6-dimethyl-7-(3-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

CAS No.:
852940-52-4
Catalog Number:
AG019OBE
Molecular Formula:
C15H16N4
Molecular Weight:
252.3143
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Product Description
Catalog Number:
AG019OBE
Chemical Name:
5,6-dimethyl-7-(3-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CAS Number:
852940-52-4
Molecular Formula:
C15H16N4
Molecular Weight:
252.3143
MDL Number:
MFCD06655841
IUPAC Name:
5,6-dimethyl-7-(3-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine
InChI:
InChI=1S/C15H16N4/c1-9-5-4-6-12(7-9)19-11(3)10(2)13-14(16)17-8-18-15(13)19/h4-8H,1-3H3,(H2,16,17,18)
InChI Key:
PDGMDLPWPGHAPU-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)n1c2ncnc(c2c(c1C)C)N
Properties
Complexity:
321  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.137g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
252.321g/mol
Monoisotopic Mass:
252.137g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
56.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
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