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tert-butyl 3-{[6-methoxy-2-(methylsulfanyl)pyrimidin-4-yl]amino}pyrrolidine-1-carboxylate

tert-butyl 3-{[6-methoxy-2-(methylsulfanyl)pyrimidin-4-yl]amino}pyrrolidine-1-carboxylate

Formula: C15H24N4O3S

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

IUPAC: tert-butyl 3-{[6-methoxy-2-(methylsulfanyl)pyrimidin-4-yl]amino}pyrrolidine-1-carboxylate

InChI: InChI=1/C15H24N4O3S/c1-15(2,3)22-14(20)19-7-6-10(9-19)16-11-8-12(21-4)18-13(17-11)23-5/h8,10H,6-7,9H2,1-5H3,(H,16,17,18)

Composition: C (52.92%), H (7.11%), N (16.46%), O (14.10%), S (9.42%)

Molar Mass: 340.44

Atom Count: 47

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 340.156911823
Formal Charge 0
FSP3 0.67
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey CVFXCTUPGDJWEI-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 93
Topological Polar Surface Area 76.58
Polarizability 34.91
Ring Count 2
Rotatable Bond Count 6

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Molecule Market Select
Purity LeadTime Formula UnitPrice
98% <10 Days C15H24N4O3S Quote Only
Molecule Market Select
Purity LeadTime Formula UnitPrice
98% <10 Days C15H24N4O3S Quote Only
Molecule Market Select
Purity LeadTime Formula UnitPrice
98% <10 Days C15H24N4O3S Quote Only