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

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

Formula: C15H23N3O4S

SMILES: COC1=CC(OC2CCN(C2)C(=O)OC(C)(C)C)=NC(SC)=N1

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

InChI: InChI=1/C15H23N3O4S/c1-15(2,3)22-14(19)18-7-6-10(9-18)21-12-8-11(20-4)16-13(17-12)23-5/h8,10H,6-7,9H2,1-5H3

Composition: C (52.77%), H (6.79%), N (12.31%), O (18.74%), S (9.39%)

Molar Mass: 341.43

Atom Count: 46

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	341.140927407
Formal Charge	0
FSP3	0.67
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
InChIKey	HFRFPGDDUVAEDQ-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	89.27
Topological Polar Surface Area	73.78
Polarizability	34.47
Ring Count	2
Rotatable Bond Count	6

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C15H23N3O4S		Quote Only