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Home Other Building Blocks N4-[(furan-2-yl)methyl]-N2-methylquinazoline-2,4-diamine

N4-[(furan-2-yl)methyl]-N2-methylquinazoline-2,4-diamine

CAS No.:
681475-24-1
Catalog Number:
AG01C1F7
Molecular Formula:
C14H14N4O
Molecular Weight:
254.2872
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Product Description
Catalog Number:
AG01C1F7
Chemical Name:
N4-[(furan-2-yl)methyl]-N2-methylquinazoline-2,4-diamine
CAS Number:
681475-24-1
Molecular Formula:
C14H14N4O
Molecular Weight:
254.2872
MDL Number:
MFCD07391234
IUPAC Name:
4-N-(furan-2-ylmethyl)-2-N-methylquinazoline-2,4-diamine
InChI:
InChI=1S/C14H14N4O/c1-15-14-17-12-7-3-2-6-11(12)13(18-14)16-9-10-5-4-8-19-10/h2-8H,9H2,1H3,(H2,15,16,17,18)
InChI Key:
DTYQWIBCJBJSLO-UHFFFAOYSA-N
SMILES:
CNc1nc(NCc2ccco2)c2c(n1)cccc2
Properties
Complexity:
289  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.117g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
254.293g/mol
Monoisotopic Mass:
254.117g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
63A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties