CCCOC1=C(C=C(C=C1)Br)C2=CC(=NC(=N2)N)Cl
Nom: 4-(5-bromo-2-propoxyphenyl)-6-chloropyrimidin-2-amine
SMILES: CCCOC1=C(C=C(C=C1)Br)C2=CC(=NC(=N2)N)Cl

Molecular Processing

Molecular formula
C13H13BrClN3O
Molecular weight
342.62
Exact mass
340.9931
XLogP
3.93
TPSA
61.03
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
19
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.231
Molar refractivity
80.38

Supplementary Information

InChIKey: RIPNAQHYMHQNII-UHFFFAOYSA-N
Synonymes
SCHEMBL4282248RIPNAQHYMHQNII-UHFFFAOYSA-N4-(5-bromo-2-propoxy-phenyl)-6-chloro-pyrimidin-2-ylamine
Voir la source →
Impliqué dans 11 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→