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

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

Formula: C17H28N4O3S

SMILES: COC1=NC(SC)=NC(NCC2CCCCN2C(=O)OC(C)(C)C)=C1

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

InChI: InChI=1/C17H28N4O3S/c1-17(2,3)24-16(22)21-9-7-6-8-12(21)11-18-13-10-14(23-4)20-15(19-13)25-5/h10,12H,6-9,11H2,1-5H3,(H,18,19,20)

Composition: C (55.41%), H (7.66%), N (15.20%), O (13.03%), S (8.70%)

Molar Mass: 368.5

Atom Count: 53

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	368.188211952
Formal Charge	0
FSP3	0.71
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	FHEIIKCGSGXWRI-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	102.24
Topological Polar Surface Area	76.58
Polarizability	38.58
Ring Count	2
Rotatable Bond Count	7

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C17H28N4O3S		Quote Only