tert-butyl 4-(6-chloropyrimidin-4-yl)piperazine-1-carboxylate

tert-butyl 4-(6-chloropyrimidin-4-yl)piperazine-1-carboxylate

CAS: 203519-88-4

Formula: C13H19ClN4O2

SMILES: CC(C)(C)OC(=O)N1CCN(CC1)C1=CC(Cl)=NC=N1

IUPAC: tert-butyl 4-(6-chloropyrimidin-4-yl)piperazine-1-carboxylate

InChI: InChI=1S/C13H19ClN4O2/c1-13(2,3)20-12(19)18-6-4-17(5-7-18)11-8-10(14)15-9-16-11/h8-9H,4-7H2,1-3H3

Composition: C (52.26%), H (6.41%), Cl (11.87%), N (18.75%), O (10.71%)

Molar Mass: 298.77

Atom Count: 39

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	298.1196536
Formal Charge	0
FSP3	0.62
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	OKGUCUQGOHTRAC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	79.08
Topological Polar Surface Area	58.56
Polarizability	29.44
Ring Count	2
Rotatable Bond Count	3

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