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N-{[4-fluoro-2-(trifluoromethyl)phenyl]methyl}-5-methoxy-2-(pyridin-2-yl)pyrimidin-4-amine

N-{[4-fluoro-2-(trifluoromethyl)phenyl]methyl}-5-methoxy-2-(pyridin-2-yl)pyrimidin-4-amine

Formula: C18H14F4N4O

SMILES: COC1=CN=C(N=C1NCC1=C(C=C(F)C=C1)C(F)(F)F)C1=CC=CC=N1

IUPAC: N-{[4-fluoro-2-(trifluoromethyl)phenyl]methyl}-5-methoxy-2-(pyridin-2-yl)pyrimidin-4-amine

InChI: InChI=1S/C18H14F4N4O/c1-27-15-10-25-16(14-4-2-3-7-23-14)26-17(15)24-9-11-5-6-12(19)8-13(11)18(20,21)22/h2-8,10H,9H2,1H3,(H,24,25,26)

Composition: C (57.15%), H (3.73%), F (20.09%), N (14.81%), O (4.23%)

Molar Mass: 378.331

Atom Count: 41

Heavy Atom Count: 27

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 378.110373739
Formal Charge 0
FSP3 0.17
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey WZTXCIJAMBUMOO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 103.38
Topological Polar Surface Area 59.93
Polarizability 33.81
Ring Count 3
Rotatable Bond Count 6

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Purity (%)
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Molecule Market Select
Purity LeadTime Formula UnitPrice
98% <10 Days C18H14F4N4O Quote Only