Name: N-methyl-N′-(2-nitro-phenyl)-pyrimidine-4,6-diamine
SMILES:
CNc1cc(Nc2ccccc2[N+](=O)[O-])ncn1Molecular Processing
Molecular formula
C11H11N5O2
Molecular weight
245.24
Exact mass
245.0913
XLogP
2.17
TPSA
92.98
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
18
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.091
Molar refractivity
67.96
Supplementary Information
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