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N-(4-chlorophenyl)-2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]propanamide

N-(4-chlorophenyl)-2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]propanamide

Formula: C13H14ClN5OS

SMILES: CC(SC1=NC(N)=CC(N)=N1)C(=O)NC1=CC=C(Cl)C=C1

IUPAC: N-(4-chlorophenyl)-2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]propanamide

InChI: InChI=1/C13H14ClN5OS/c1-7(21-13-18-10(15)6-11(16)19-13)12(20)17-9-4-2-8(14)3-5-9/h2-7H,1H3,(H,17,20)(H4,15,16,18,19)

Composition: C (48.22%), H (4.36%), Cl (10.95%), N (21.63%), O (4.94%), S (9.90%)

Molar Mass: 323.8

Atom Count: 35

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 323.060759
Formal Charge 0
FSP3 0.15
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 3
InChIKey LUNMWNVZRQWIFZ-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 89.26
Topological Polar Surface Area 106.92
Polarizability 32.11
Ring Count 2
Rotatable Bond Count 4

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C13H14ClN5OS $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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