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tert-butyl 3-[(6-methoxypyrimidin-4-yl)amino]pyrrolidine-1-carboxylate

tert-butyl 3-[(6-methoxypyrimidin-4-yl)amino]pyrrolidine-1-carboxylate

Formula: C14H22N4O3

SMILES: COC1=NC=NC(NC2CCN(C2)C(=O)OC(C)(C)C)=C1

IUPAC: tert-butyl 3-[(6-methoxypyrimidin-4-yl)amino]pyrrolidine-1-carboxylate

InChI: InChI=1/C14H22N4O3/c1-14(2,3)21-13(19)18-6-5-10(8-18)17-11-7-12(20-4)16-9-15-11/h7,9-10H,5-6,8H2,1-4H3,(H,15,16,17)

Composition: C (57.13%), H (7.53%), N (19.03%), O (16.31%)

Molar Mass: 294.355

Atom Count: 43

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 294.169190584
Formal Charge 0
FSP3 0.64
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey SPSTWKUSFLVUOQ-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 80.29
Topological Polar Surface Area 76.58
Polarizability 30
Ring Count 2
Rotatable Bond Count 5

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