5-fluoro-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-4-methyl-1H-pyrimidin-6-one

C11H13FN4O2 — CID 136930685

IUPAC5-fluoro-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-4-methyl-1H-pyrimidin-6-one
SMILESCOc1c(-c2nc(C)c(F)c(=O)[nH]2)c(C)nn1C
InChIInChI=1S/C11H13FN4O2/c1-5-7(11(18-4)16(3)15-5)9-13-6(2)8(12)10(17)14-9/h1-4H3,(H,13,14,17)
InChIKeyUIZNNQABKOZSDZ-UHFFFAOYSA-N
MW252.25 g/mol
LogP0.93
Rot. Bonds2

About 5-fluoro-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-4-methyl-1H-pyrimidin-6-one

5-fluoro-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-4-methyl-1H-pyrimidin-6-one (PubChem CID 136930685) has the molecular formula C11H13FN4O2 and a molecular weight of 252.25 g/mol. Its IUPAC name is 5-fluoro-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-fluoro-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-4-methyl-1H-pyrimidin-6-one
PubChem CID136930685
Molecular FormulaC11H13FN4O2
Molecular Weight252.25 g/mol
Exact Mass252.10
IUPAC Name5-fluoro-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-4-methyl-1H-pyrimidin-6-one
SMILESCOc1c(-c2nc(C)c(F)c(=O)[nH]2)c(C)nn1C
InChIInChI=1S/C11H13FN4O2/c1-5-7(11(18-4)16(3)15-5)9-13-6(2)8(12)10(17)14-9/h1-4H3,(H,13,14,17)
InChIKeyUIZNNQABKOZSDZ-UHFFFAOYSA-N
XLogP0.93
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.25
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-fluoro-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-4-methyl-1H-pyrimidin-6-one (CID 136930685) is 5-fluoro-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-fluoro-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-fluoro-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-4-methyl-1H-pyrimidin-6-one is COc1c(-c2nc(C)c(F)c(=O)[nH]2)c(C)nn1C.
What is the InChIKey of 5-fluoro-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-4-methyl-1H-pyrimidin-6-one?
The InChIKey is UIZNNQABKOZSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4O2/c1-5-7(11(18-4)16(3)15-5)9-13-6(2)8(12)10(17)14-9/h1-4H3,(H,13,14,17).
What are the key properties of 5-fluoro-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-4-methyl-1H-pyrimidin-6-one?
5-fluoro-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-4-methyl-1H-pyrimidin-6-one has a molecular weight of 252.25 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136930685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).