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tert-butyl N-(4-{[2-(methylsulfanyl)pyrimidin-4-yl]amino}cyclohexyl)carbamate

tert-butyl N-(4-{[2-(methylsulfanyl)pyrimidin-4-yl]amino}cyclohexyl)carbamate

Formula: C16H26N4O2S

SMILES: CSC1=NC=CC(NC2CCC(CC2)NC(=O)OC(C)(C)C)=N1

IUPAC: tert-butyl N-(4-{[2-(methylsulfanyl)pyrimidin-4-yl]amino}cyclohexyl)carbamate

InChI: InChI=1S/C16H26N4O2S/c1-16(2,3)22-15(21)19-12-7-5-11(6-8-12)18-13-9-10-17-14(20-13)23-4/h9-12H,5-8H2,1-4H3,(H,19,21)(H,17,18,20)

Composition: C (56.78%), H (7.74%), N (16.55%), O (9.45%), S (9.47%)

Molar Mass: 338.47

Atom Count: 49

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 338.177647267
Formal Charge 0
FSP3 0.69
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey PAWZEWNWTGKJCN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 95.15
Topological Polar Surface Area 76.14
Polarizability 36.04
Ring Count 2
Rotatable Bond Count 6

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Purity (%)
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Purity LeadTime Formula UnitPrice
98% <10 Days C16H26N4O2S Quote Only