tert-butyl 4-[6-methoxy-2-(methylsulfanyl)pyrimidin-4-yl]-2-methylpiperazine-1-carboxylate

tert-butyl 4-[6-methoxy-2-(methylsulfanyl)pyrimidin-4-yl]-2-methylpiperazine-1-carboxylate

Formula: C16H26N4O3S

SMILES: COC1=NC(SC)=NC(=C1)N1CCN(C(C)C1)C(=O)OC(C)(C)C

IUPAC: tert-butyl 4-[6-methoxy-2-(methylsulfanyl)pyrimidin-4-yl]-2-methylpiperazine-1-carboxylate

InChI: InChI=1/C16H26N4O3S/c1-11-10-19(7-8-20(11)15(21)23-16(2,3)4)12-9-13(22-5)18-14(17-12)24-6/h9,11H,7-8,10H2,1-6H3

Composition: C (54.22%), H (7.39%), N (15.81%), O (13.54%), S (9.04%)

Molar Mass: 354.47

Atom Count: 50

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	354.172561887
Formal Charge	0
FSP3	0.69
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
InChIKey	DFUKEPVFNQZJHT-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	97.12
Topological Polar Surface Area	67.79
Polarizability	36.74
Ring Count	2
Rotatable Bond Count	5

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C16H26N4O3S		Quote Only