5-fluoro-2-(4-methoxyoxan-4-yl)-4-methyl-1H-pyrimidin-6-one

C11H15FN2O3 — CID 136983391

IUPAC5-fluoro-2-(4-methoxyoxan-4-yl)-4-methyl-1H-pyrimidin-6-one
SMILESCOC1(c2nc(C)c(F)c(=O)[nH]2)CCOCC1
InChIInChI=1S/C11H15FN2O3/c1-7-8(12)9(15)14-10(13-7)11(16-2)3-5-17-6-4-11/h3-6H2,1-2H3,(H,13,14,15)
InChIKeyKMCHHGOFLGDXTH-UHFFFAOYSA-N
MW242.25 g/mol
LogP0.87
Rot. Bonds2

About 5-fluoro-2-(4-methoxyoxan-4-yl)-4-methyl-1H-pyrimidin-6-one

5-fluoro-2-(4-methoxyoxan-4-yl)-4-methyl-1H-pyrimidin-6-one (PubChem CID 136983391) has the molecular formula C11H15FN2O3 and a molecular weight of 242.25 g/mol. Its IUPAC name is 5-fluoro-2-(4-methoxyoxan-4-yl)-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-fluoro-2-(4-methoxyoxan-4-yl)-4-methyl-1H-pyrimidin-6-one
PubChem CID136983391
Molecular FormulaC11H15FN2O3
Molecular Weight242.25 g/mol
Exact Mass242.11
IUPAC Name5-fluoro-2-(4-methoxyoxan-4-yl)-4-methyl-1H-pyrimidin-6-one
SMILESCOC1(c2nc(C)c(F)c(=O)[nH]2)CCOCC1
InChIInChI=1S/C11H15FN2O3/c1-7-8(12)9(15)14-10(13-7)11(16-2)3-5-17-6-4-11/h3-6H2,1-2H3,(H,13,14,15)
InChIKeyKMCHHGOFLGDXTH-UHFFFAOYSA-N
XLogP0.87
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(4-methoxyoxan-4-yl)-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-fluoro-2-(4-methoxyoxan-4-yl)-4-methyl-1H-pyrimidin-6-one (CID 136983391) is 5-fluoro-2-(4-methoxyoxan-4-yl)-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-fluoro-2-(4-methoxyoxan-4-yl)-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-fluoro-2-(4-methoxyoxan-4-yl)-4-methyl-1H-pyrimidin-6-one is COC1(c2nc(C)c(F)c(=O)[nH]2)CCOCC1.
What is the InChIKey of 5-fluoro-2-(4-methoxyoxan-4-yl)-4-methyl-1H-pyrimidin-6-one?
The InChIKey is KMCHHGOFLGDXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O3/c1-7-8(12)9(15)14-10(13-7)11(16-2)3-5-17-6-4-11/h3-6H2,1-2H3,(H,13,14,15).
What are the key properties of 5-fluoro-2-(4-methoxyoxan-4-yl)-4-methyl-1H-pyrimidin-6-one?
5-fluoro-2-(4-methoxyoxan-4-yl)-4-methyl-1H-pyrimidin-6-one has a molecular weight of 242.25 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(4-methoxyoxan-4-yl)-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136983391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).