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1706435-53-1 | "N1-(6-(4,5-dimethyl-1H-imidazol-1-yl)pyrimidin-4-yl)ethane-1,2-diamine"
CAS No: 1706435-53-1 Catalog No: AG01FM2F MDL No:MFCD28012702
Product Description
Catalog Number:
AG01FM2F
Chemical Name:
"N1-(6-(4,5-dimethyl-1H-imidazol-1-yl)pyrimidin-4-yl)ethane-1,2-diamine"
CAS Number:
1706435-53-1
Molecular Formula:
C11H16N6
Molecular Weight:
232.2849
MDL Number:
MFCD28012702
IUPAC Name:
N'-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]ethane-1,2-diamine
InChI:
InChI=1S/C11H16N6/c1-8-9(2)17(7-16-8)11-5-10(13-4-3-12)14-6-15-11/h5-7H,3-4,12H2,1-2H3,(H,13,14,15)
InChI Key:
IOXXNOCIJIVZSA-UHFFFAOYSA-N
SMILES:
NCCNc1ncnc(c1)n1cnc(c1C)C
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.144g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
232.291g/mol
Monoisotopic Mass:
232.144g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
81.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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