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tert-butyl 3-{[6-(diethylamino)pyrimidin-4-yl]oxy}pyrrolidine-1-carboxylate

tert-butyl 3-{[6-(diethylamino)pyrimidin-4-yl]oxy}pyrrolidine-1-carboxylate

Formula: C17H28N4O3

SMILES: CCN(CC)C1=CC(OC2CCN(C2)C(=O)OC(C)(C)C)=NC=N1

IUPAC: tert-butyl 3-{[6-(diethylamino)pyrimidin-4-yl]oxy}pyrrolidine-1-carboxylate

InChI: InChI=1/C17H28N4O3/c1-6-20(7-2)14-10-15(19-12-18-14)23-13-8-9-21(11-13)16(22)24-17(3,4)5/h10,12-13H,6-9,11H2,1-5H3

Composition: C (60.69%), H (8.39%), N (16.65%), O (14.27%)

Molar Mass: 336.436

Atom Count: 52

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 336.216140778
Formal Charge 0
FSP3 0.71
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 0
InChIKey MLMXCKDDWPEREW-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 94.02
Topological Polar Surface Area 67.79
Polarizability 35.49
Ring Count 2
Rotatable Bond Count 7

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Purity LeadTime Formula UnitPrice
98% <10 Days C17H28N4O3 Quote Only
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