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

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

CAS: 865660-38-4

Formula: C19H15F3N4O

SMILES: CC1=CC=C(CNC(=O)C2=CN=C(N=C2C(F)(F)F)C2=NC=CC=C2)C=C1

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

InChI: InChI=1S/C19H15F3N4O/c1-12-5-7-13(8-6-12)10-25-18(27)14-11-24-17(15-4-2-3-9-23-15)26-16(14)19(20,21)22/h2-9,11H,10H2,1H3,(H,25,27)

Composition: C (61.29%), H (4.06%), F (15.31%), N (15.05%), O (4.30%)

Molar Mass: 372.351

Atom Count: 42

Heavy Atom Count: 27

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 372.119795608
Formal Charge 0
FSP3 0.16
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey RHVTWQDPVGVTME-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 104.84
Topological Polar Surface Area 67.77
Polarizability 34.99
Ring Count 3
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 865660-38-4 $51.35-$86.31$51.35$63.37$86.31
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