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4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-(naphthalen-2-ylsulfanyl)pyrimidin-2-amine

4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-(naphthalen-2-ylsulfanyl)pyrimidin-2-amine

CAS: 478258-46-7

Formula: C26H27N5S

SMILES: CC1=CC=CC(N2CCN(CC2)C2=CC(SC3=CC4=CC=CC=C4C=C3)=NC(N)=N2)=C1C

IUPAC: 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-(naphthalen-2-ylsulfanyl)pyrimidin-2-amine

InChI: InChI=1S/C26H27N5S/c1-18-6-5-9-23(19(18)2)30-12-14-31(15-13-30)24-17-25(29-26(27)28-24)32-22-11-10-20-7-3-4-8-21(20)16-22/h3-11,16-17H,12-15H2,1-2H3,(H2,27,28,29)

Composition: C (70.72%), H (6.16%), N (15.86%), S (7.26%)

Molar Mass: 441.6

Atom Count: 59

Heavy Atom Count: 32

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 441.198717063
Formal Charge 0
FSP3 0.23
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey SNQKVROBPXJULQ-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 138.19
Topological Polar Surface Area 58.28
Polarizability 51.92
Ring Count 5
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 478258-46-7 $51.35-$86.31$51.35$63.37$86.31
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