Home Other Building Blocks N7-methylpyrimido[4,5-d]pyrimidine-2,4,7-triamine

N7-methylpyrimido[4,5-d]pyrimidine-2,4,7-triamine

CAS No.:
120641-13-6
Catalog Number:
AG01BT48
Molecular Formula:
C7H9N7
Molecular Weight:
191.1933
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Product Description
Catalog Number:
AG01BT48
Chemical Name:
N7-methylpyrimido[4,5-d]pyrimidine-2,4,7-triamine
CAS Number:
120641-13-6
Molecular Formula:
C7H9N7
Molecular Weight:
191.1933
MDL Number:
MFCD20665218
IUPAC Name:
2-N-methylpyrimido[4,5-d]pyrimidine-2,5,7-triamine
InChI:
InChI=1S/C7H9N7/c1-10-7-11-2-3-4(8)12-6(9)13-5(3)14-7/h2H,1H3,(H5,8,9,10,11,12,13,14)
InChI Key:
BJPBBZFUCYXZRI-UHFFFAOYSA-N
SMILES:
CNc1ncc2c(n1)nc(nc2N)N
Properties
Complexity:
199  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.092g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
191.198g/mol
Monoisotopic Mass:
191.092g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  
Properties