About 2,6-difluoro-1,2-dihydropyrimidine
2,6-difluoro-1,2-dihydropyrimidine (PubChem CID 19045942) has the molecular formula C4H4F2N2
and a molecular weight of 118.09 g/mol. Its IUPAC name is 2,6-difluoro-1,2-dihydropyrimidine.
Molecular Properties
| Compound Name | 2,6-difluoro-1,2-dihydropyrimidine |
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| PubChem CID | 19045942 |
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| Molecular Formula | C4H4F2N2 |
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| Molecular Weight | 118.09 g/mol |
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| Exact Mass | 118.03 |
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| IUPAC Name | 2,6-difluoro-1,2-dihydropyrimidine |
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| SMILES | FC1=CC=NC(F)N1 |
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| InChI | InChI=1S/C4H4F2N2/c5-3-1-2-7-4(6)8-3/h1-2,4,8H |
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| InChIKey | SPHYRFXYBOGLMZ-UHFFFAOYSA-N |
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| XLogP | 0.72 |
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| TPSA | 24.39 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | |
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| Heavy Atoms | 8 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 118.09 |
| LogP ≤ 5 | 0.72 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'N-C-halo', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 2,6-difluoro-1,2-dihydropyrimidine?
The IUPAC name of 2,6-difluoro-1,2-dihydropyrimidine (CID 19045942) is 2,6-difluoro-1,2-dihydropyrimidine.
What is the SMILES notation for 2,6-difluoro-1,2-dihydropyrimidine?
The canonical SMILES for 2,6-difluoro-1,2-dihydropyrimidine is FC1=CC=NC(F)N1.
What is the InChIKey of 2,6-difluoro-1,2-dihydropyrimidine?
The InChIKey is SPHYRFXYBOGLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F2N2/c5-3-1-2-7-4(6)8-3/h1-2,4,8H.
What are the key properties of 2,6-difluoro-1,2-dihydropyrimidine?
2,6-difluoro-1,2-dihydropyrimidine has a molecular weight of 118.09 g/mol, XLogP of 0.72, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-1,2-dihydropyrimidine is sourced from PubChem (CID 19045942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).