Nombre: 5-[(2,4-diaminopyrimidin-5-yl)methyl]-7,8-dimethoxy-2-methyl-2,3-dihydrochromen-4-one
SMILES:
CC1CC(=O)C2=C(O1)C(=C(C=C2CC3=CN=C(N=C3N)N)OC)OCMolecular Processing
Molecular formula
C17H20N4O4
Molecular weight
344.37
Exact mass
344.1485
XLogP
1.6
TPSA
122.58
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
4
Heavy atoms
25
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.353
Molar refractivity
92.25
Supplementary Information
InChIKey: FKHWTYIMLLHWPV-UHFFFAOYSA-N
Sinónimos
SCHEMBL10614611FKHWTYIMLLHWPV-UHFFFAOYSA-N2,4-Diamino-5-(3,4-dihydro-7,8-dimethoxy-2-methyl-4-oxo-2H-1-benzopyran-5-ylmethyl)pyrimidine
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