COC1=C(C2=C(C=CCO2)C(=C1)CC3=CN=C(N=C3N)N)OC
이름: 5-[(7,8-dimethoxy-2H-chromen-5-yl)methyl]pyrimidine-2,4-diamine
SMILES: COC1=C(C2=C(C=CCO2)C(=C1)CC3=CN=C(N=C3N)N)OC

Molecular Processing

Molecular formula
C16H18N4O3
Molecular weight
314.35
Exact mass
314.1379
XLogP
1.65
TPSA
105.51
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
23
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
87.74

Supplementary Information

InChIKey: NWFFAMNYFYKTDZ-UHFFFAOYSA-N
동의어
SCHEMBL10614525NWFFAMNYFYKTDZ-UHFFFAOYSA-N2,4-diamino-5-(7,8-dimethoxy-2H-1-benzopyran-5-ylmethyl)pyrimidine
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