About 1,4-dimethyl-4,5-dihydropyrimidin-6-one
1,4-dimethyl-4,5-dihydropyrimidin-6-one (PubChem CID 69072650) has the molecular formula C6H10N2O
and a molecular weight of 126.16 g/mol. Its IUPAC name is 1,4-dimethyl-4,5-dihydropyrimidin-6-one.
Molecular Properties
| Compound Name | 1,4-dimethyl-4,5-dihydropyrimidin-6-one |
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| PubChem CID | 69072650 |
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| Molecular Formula | C6H10N2O |
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| Molecular Weight | 126.16 g/mol |
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| Exact Mass | 126.08 |
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| IUPAC Name | 1,4-dimethyl-4,5-dihydropyrimidin-6-one |
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| SMILES | CC1CC(=O)N(C)C=N1 |
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| InChI | InChI=1S/C6H10N2O/c1-5-3-6(9)8(2)4-7-5/h4-5H,3H2,1-2H3 |
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| InChIKey | SHEHOFKEBPWKOH-UHFFFAOYSA-N |
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| XLogP | 0.27 |
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| TPSA | 32.67 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | |
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| Heavy Atoms | 9 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 126.16 |
| LogP ≤ 5 | 0.27 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 1,4-dimethyl-4,5-dihydropyrimidin-6-one?
The IUPAC name of 1,4-dimethyl-4,5-dihydropyrimidin-6-one (CID 69072650) is 1,4-dimethyl-4,5-dihydropyrimidin-6-one.
What is the SMILES notation for 1,4-dimethyl-4,5-dihydropyrimidin-6-one?
The canonical SMILES for 1,4-dimethyl-4,5-dihydropyrimidin-6-one is CC1CC(=O)N(C)C=N1.
What is the InChIKey of 1,4-dimethyl-4,5-dihydropyrimidin-6-one?
The InChIKey is SHEHOFKEBPWKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c1-5-3-6(9)8(2)4-7-5/h4-5H,3H2,1-2H3.
What are the key properties of 1,4-dimethyl-4,5-dihydropyrimidin-6-one?
1,4-dimethyl-4,5-dihydropyrimidin-6-one has a molecular weight of 126.16 g/mol, XLogP of 0.27, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-4,5-dihydropyrimidin-6-one is sourced from PubChem (CID 69072650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).