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N-[(3-methoxyphenyl)methyl]-2-(pyridin-2-yl)-4-(trifluoromethyl)pyrimidine-5-carboxamide

N-[(3-methoxyphenyl)methyl]-2-(pyridin-2-yl)-4-(trifluoromethyl)pyrimidine-5-carboxamide

CAS: 866133-71-3

Formula: C19H15F3N4O2

SMILES: COC1=CC=CC(CNC(=O)C2=CN=C(N=C2C(F)(F)F)C2=NC=CC=C2)=C1

IUPAC: N-[(3-methoxyphenyl)methyl]-2-(pyridin-2-yl)-4-(trifluoromethyl)pyrimidine-5-carboxamide

InChI: InChI=1S/C19H15F3N4O2/c1-28-13-6-4-5-12(9-13)10-25-18(27)14-11-24-17(15-7-2-3-8-23-15)26-16(14)19(20,21)22/h2-9,11H,10H2,1H3,(H,25,27)

Composition: C (58.76%), H (3.89%), F (14.68%), N (14.43%), O (8.24%)

Molar Mass: 388.35

Atom Count: 43

Heavy Atom Count: 28

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 388.114710228
Formal Charge 0
FSP3 0.16
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey GQAIHPSZPUPSPF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 106.26
Topological Polar Surface Area 77
Polarizability 35.8
Ring Count 3
Rotatable Bond Count 6

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 866133-71-3 $51.35-$86.31$51.35$63.37$86.31
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