2-(methylsulfanyl)-4,6-bis(4-phenylpiperazin-1-yl)pyrimidine

2-(methylsulfanyl)-4,6-bis(4-phenylpiperazin-1-yl)pyrimidine

CAS: 339017-95-7

Formula: C25H30N6S

SMILES: CSC1=NC(=CC(=N1)N1CCN(CC1)C1=CC=CC=C1)N1CCN(CC1)C1=CC=CC=C1

IUPAC: 2-(methylsulfanyl)-4,6-bis(4-phenylpiperazin-1-yl)pyrimidine

InChI: InChI=1S/C25H30N6S/c1-32-25-26-23(30-16-12-28(13-17-30)21-8-4-2-5-9-21)20-24(27-25)31-18-14-29(15-19-31)22-10-6-3-7-11-22/h2-11,20H,12-19H2,1H3

Composition: C (67.23%), H (6.77%), N (18.82%), S (7.18%)

Molar Mass: 446.62

Atom Count: 62

Heavy Atom Count: 32

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	446.225266164
Formal Charge	0
FSP3	0.36
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
InChIKey	BCYYLNHPFTUKOR-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	138.01
Topological Polar Surface Area	38.74
Polarizability	50.48
Ring Count	5
Rotatable Bond Count	5

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