tert-butyl 4-[6-(4-chlorophenyl)-5-cyano-2-(pyridin-4-yl)pyrimidin-4-yl]piperazine-1-carboxylate

tert-butyl 4-[6-(4-chlorophenyl)-5-cyano-2-(pyridin-4-yl)pyrimidin-4-yl]piperazine-1-carboxylate

CAS: 383148-76-3

Formula: C25H25ClN6O2

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

IUPAC: tert-butyl 4-[6-(4-chlorophenyl)-5-cyano-2-(pyridin-4-yl)pyrimidin-4-yl]piperazine-1-carboxylate

InChI: InChI=1S/C25H25ClN6O2/c1-25(2,3)34-24(33)32-14-12-31(13-15-32)23-20(16-27)21(17-4-6-19(26)7-5-17)29-22(30-23)18-8-10-28-11-9-18/h4-11H,12-15H2,1-3H3

Composition: C (62.96%), H (5.28%), Cl (7.43%), N (17.62%), O (6.71%)

Molar Mass: 476.97

Atom Count: 59

Heavy Atom Count: 34

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	476.1727518
Formal Charge	0
FSP3	0.32
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
InChIKey	DILVTMCAYUZRFX-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	141.76
Topological Polar Surface Area	95.24
Polarizability	51.45
Ring Count	4
Rotatable Bond Count	5

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