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

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

CAS: 1417789-30-0

Formula: C16H24N4O3

SMILES: CC(C)(C)OC(=O)N1CC[C@H](C1)OC1=NC=NC(NC2CC2)=C1

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

InChI: InChI=1S/C16H24N4O3/c1-16(2,3)23-15(21)20-7-6-12(9-20)22-14-8-13(17-10-18-14)19-11-4-5-11/h8,10-12H,4-7,9H2,1-3H3,(H,17,18,19)/t12-/m1/s1

Composition: C (59.98%), H (7.55%), N (17.49%), O (14.98%)

Molar Mass: 320.393

Atom Count: 47

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 320.184840649
Formal Charge 0
FSP3 0.69
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey PHDFYBYSMOSPPI-GFCCVEGCSA-N
Lipinski's Rule of Five 1
Molar Refractivity 87.5
Topological Polar Surface Area 76.58
Polarizability 32.94
Ring Count 3
Rotatable Bond Count 6

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Purity LeadTime CAS UnitPrice
98% <10 Days 1417789-30-0 Quote Only
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95% <7 Days 1417789-30-0 $173.88-$293.94$173.88$293.94
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Purity LeadTime CAS PacketSize UnitPrice
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