General Information of the Compound
| Compound ID |
CP0541360
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| Compound Name |
N-methyl-5-[2-(3-methylphenyl)ethynyl]pyrimidin-2-amine
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| Structure |
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| Formula |
C14H13N3
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| Molecular Weight |
223.279
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| Canonical SMILES |
CNc1ncc(cn1)C#Cc1cccc(C)c1
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| InChI |
InChI=1S/C14H13N3/c1-11-4-3-5-12(8-11)6-7-13-9-16-14(15-2)17-10-13/h3-5,8-10H,1-2H3,(H,15,16,17)
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| InChIKey |
CTIRMQCDZFOVQK-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound