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N-[N'-(4,6-dimethylpyrimidin-2-yl)-N-(3-methoxyphenyl)carbamimidoyl]propanamide

N-[N'-(4,6-dimethylpyrimidin-2-yl)-N-(3-methoxyphenyl)carbamimidoyl]propanamide

Formula: C17H21N5O2

SMILES: CCC(=O)NC(NC1=CC=CC(OC)=C1)=NC1=NC(C)=CC(C)=N1

IUPAC: N-[N'-(4,6-dimethylpyrimidin-2-yl)-N-(3-methoxyphenyl)carbamimidoyl]propanamide

InChI: InChI=1S/C17H21N5O2/c1-5-15(23)21-17(20-13-7-6-8-14(10-13)24-4)22-16-18-11(2)9-12(3)19-16/h6-10H,5H2,1-4H3,(H2,18,19,20,21,22,23)

Composition: C (62.37%), H (6.47%), N (21.39%), O (9.77%)

Molar Mass: 327.388

Atom Count: 45

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 327.169524936
Formal Charge 0
FSP3 0.29
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 2
InChIKey PBLKYWYSALBZSA-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 94.79
Topological Polar Surface Area 88.5
Polarizability 34.62
Ring Count 2
Rotatable Bond Count 4

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C17H21N5O2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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