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2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]-N-(naphthalen-2-yl)acetamide

2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]-N-(naphthalen-2-yl)acetamide

Formula: C16H15N5OS

SMILES: NC1=CC(N)=NC(SCC(=O)NC2=CC3=CC=CC=C3C=C2)=N1

IUPAC: 2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]-N-(naphthalen-2-yl)acetamide

InChI: InChI=1S/C16H15N5OS/c17-13-8-14(18)21-16(20-13)23-9-15(22)19-12-6-5-10-3-1-2-4-11(10)7-12/h1-8H,9H2,(H,19,22)(H4,17,18,20,21)

Composition: C (59.06%), H (4.65%), N (21.52%), O (4.92%), S (9.85%)

Molar Mass: 325.39

Atom Count: 38

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 325.099731297
Formal Charge 0
FSP3 0.06
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 3
InChIKey IJJMFVKACNMEEW-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 96.41
Topological Polar Surface Area 106.92
Polarizability 35.87
Ring Count 3
Rotatable Bond Count 4

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C16H15N5OS $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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