4-[1-({2-fluoro-[1,1'-biphenyl]-4-yl}oxy)ethyl]pyrimidin-2-amine

4-[1-({2-fluoro-[1,1'-biphenyl]-4-yl}oxy)ethyl]pyrimidin-2-amine

CAS: 477862-72-9

Formula: C18H16FN3O

SMILES: CC(OC1=CC(F)=C(C=C1)C1=CC=CC=C1)C1=NC(N)=NC=C1

IUPAC: 4-[1-({2-fluoro-[1,1'-biphenyl]-4-yl}oxy)ethyl]pyrimidin-2-amine

InChI: InChI=1/C18H16FN3O/c1-12(17-9-10-21-18(20)22-17)23-14-7-8-15(16(19)11-14)13-5-3-2-4-6-13/h2-12H,1H3,(H2,20,21,22)

Composition: C (69.89%), H (5.21%), F (6.14%), N (13.58%), O (5.17%)

Molar Mass: 309.344

Atom Count: 39

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	309.12774031
Formal Charge	0
FSP3	0.11
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	BVYRKAQWNQTLLA-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	87.77
Topological Polar Surface Area	61.03
Polarizability	34.22
Ring Count	3
Rotatable Bond Count	4

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