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8VD : Summary
Code ![](/pdbe/static/images/help.png)
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8VD
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One-letter code ![](/pdbe/static/images/help.png)
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X
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Molecule name ![](/pdbe/static/images/help.png)
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N-(piperidin-4-yl)-6-(trifluoromethyl)pyrimidin-4-amine
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Systematic names ![](/pdbe/static/images/help.png)
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Formula ![](/pdbe/static/images/help.png)
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C10 H13 F3 N4
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Formal charge ![](/pdbe/static/images/help.png)
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0
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Molecular weight ![](/pdbe/static/images/help.png)
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246.232 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
FC(F)(F)c1cc(ncn1)NC1CCNCC1 |
SMILES
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CACTVS |
3.385 |
FC(F)(F)c1cc(NC2CCNCC2)ncn1 |
SMILES
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OpenEye OEToolkits |
2.0.7 |
c1c(ncnc1NC2CCNCC2)C(F)(F)F |
Canonical SMILES
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CACTVS |
3.385 |
FC(F)(F)c1cc(NC2CCNCC2)ncn1 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
c1c(ncnc1NC2CCNCC2)C(F)(F)F |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C10H13F3N4/c11-10(12,13)8-5-9(16-6-15-8)17-7-1-3-14-4-2-7/h5-7,14H,1-4H2,(H,15,16,17) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | GRSDOXXGQOHABE-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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30 (17 without Hydrogen)
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Polymer type ![](/pdbe/static/images/help.png)
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Bound ligand
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Type description ![](/pdbe/static/images/help.png)
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non-polymer
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Type code ![](/pdbe/static/images/help.png)
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HETAIN
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Is modified ![](/pdbe/static/images/help.png)
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No
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Standard parent ![](/pdbe/static/images/help.png)
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Not Assigned
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Defined at ![](/pdbe/static/images/help.png)
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2021-10-01
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Last modified at ![](/pdbe/static/images/help.png)
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2022-02-04
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Status ![](/pdbe/static/images/help.png)
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Released
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Obsoleted ![](/pdbe/static/images/help.png)
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Not Assigned
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