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N-[3-chloro-4-({[2-(methylamino)-6-(pyridin-2-yl)pyrimidin-4-yl]amino}methyl)phenyl]methanesulfonamide

N-[3-chloro-4-({[2-(methylamino)-6-(pyridin-2-yl)pyrimidin-4-yl]amino}methyl)phenyl]methanesulfonamide

CAS: 1621175-65-2

Formula: C18H19ClN6O2S

SMILES: CNC1=NC(=CC(NCC2=CC=C(NS(C)(=O)=O)C=C2Cl)=N1)C1=CC=CC=N1

IUPAC: N-[3-chloro-4-({[2-(methylamino)-6-(pyridin-2-yl)pyrimidin-4-yl]amino}methyl)phenyl]methanesulfonamide

InChI: InChI=1S/C18H19ClN6O2S/c1-20-18-23-16(15-5-3-4-8-21-15)10-17(24-18)22-11-12-6-7-13(9-14(12)19)25-28(2,26)27/h3-10,25H,11H2,1-2H3,(H2,20,22,23,24)

Composition: C (51.61%), H (4.57%), Cl (8.46%), N (20.06%), O (7.64%), S (7.65%)

Molar Mass: 418.9

Atom Count: 47

Heavy Atom Count: 28

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 418.0978727
Formal Charge 0
FSP3 0.17
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 7
Hydrogen Bond Donor Count 3
InChIKey DRSZMILOMUPIBJ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 111.71
Topological Polar Surface Area 108.9
Polarizability 43.18
Ring Count 3
Rotatable Bond Count 6

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Selleck Chemicals
Purity LeadTime CAS UnitPrice
98% <10 Days 1621175-65-2 Quote Only
Molnova Chemicals
Purity LeadTime CAS PacketSize UnitPrice
98% <4 Days 1621175-65-2 $45.86-$453.29$45.86$70.32$121.54$259.13$453.29
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