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tert-butyl N-{1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl}carbamate

tert-butyl N-{1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl}carbamate

CAS: 1982187-39-2

Formula: C16H23F3N4O2

SMILES: CC1=NC(=CC(=N1)C(F)(F)F)N1CCC(CC1)NC(=O)OC(C)(C)C

IUPAC: tert-butyl N-{1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl}carbamate

InChI: InChI=1S/C16H23F3N4O2/c1-10-20-12(16(17,18)19)9-13(21-10)23-7-5-11(6-8-23)22-14(24)25-15(2,3)4/h9,11H,5-8H2,1-4H3,(H,22,24)

Composition: C (53.33%), H (6.43%), F (15.82%), N (15.55%), O (8.88%)

Molar Mass: 360.381

Atom Count: 48

Heavy Atom Count: 25

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 360.177310486
Formal Charge 0
FSP3 0.69
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey KBIBIKARDOZLDD-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 87.95
Topological Polar Surface Area 67.35
Polarizability 32.26
Ring Count 2
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 1982187-39-2 $51.35-$86.31$51.35$63.37$86.31
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