2-[cyclohexyl(methoxy)methyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one

C13H19FN2O2 — CID 136963835

IUPAC2-[cyclohexyl(methoxy)methyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one
SMILESCOC(c1nc(C)c(F)c(=O)[nH]1)C1CCCCC1
InChIInChI=1S/C13H19FN2O2/c1-8-10(14)13(17)16-12(15-8)11(18-2)9-6-4-3-5-7-9/h9,11H,3-7H2,1-2H3,(H,15,16,17)
InChIKeyVNBAEZLHMDRVDF-UHFFFAOYSA-N
MW254.30 g/mol
LogP2.49
Rot. Bonds3

About 2-[cyclohexyl(methoxy)methyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one

2-[cyclohexyl(methoxy)methyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one (PubChem CID 136963835) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is 2-[cyclohexyl(methoxy)methyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[cyclohexyl(methoxy)methyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one
PubChem CID136963835
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC Name2-[cyclohexyl(methoxy)methyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one
SMILESCOC(c1nc(C)c(F)c(=O)[nH]1)C1CCCCC1
InChIInChI=1S/C13H19FN2O2/c1-8-10(14)13(17)16-12(15-8)11(18-2)9-6-4-3-5-7-9/h9,11H,3-7H2,1-2H3,(H,15,16,17)
InChIKeyVNBAEZLHMDRVDF-UHFFFAOYSA-N
XLogP2.49
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-ethoxy-3-methylcyclohexyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136963823
5-fluoro-2-(1-methoxycycloheptyl)-4-methyl-1H-pyrimidin-6-one
CID 136963824
2-[cyclohexyl(ethoxy)methyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136963825
2-(1-ethoxy-4-methylcyclohexyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136963826
2-(1-ethoxycycloheptyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136963832
5-fluoro-2-(1-methoxy-4-methylcyclohexyl)-4-methyl-1H-pyrimidin-6-one
CID 136963834
2-(1-ethoxy-4,4-dimethylcyclohexyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136963838
5-fluoro-2-(1-methoxy-4,4-dimethylcyclohexyl)-4-methyl-1H-pyrimidin-6-one
CID 136963839
5-fluoro-2-(1-methoxycyclohexyl)-4-methyl-1H-pyrimidin-6-one
CID 136983390
2-(1-ethoxycyclohexyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136983392
5-fluoro-2-(1-methoxy-3-methylcyclohexyl)-4-methyl-1H-pyrimidin-6-one
CID 136983393
2-[cyclohexyl(ethoxy)methyl]-4-hydroxy-1H-pyrimidin-6-one
CID 113559531

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(methoxy)methyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[cyclohexyl(methoxy)methyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one (CID 136963835) is 2-[cyclohexyl(methoxy)methyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[cyclohexyl(methoxy)methyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[cyclohexyl(methoxy)methyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one is COC(c1nc(C)c(F)c(=O)[nH]1)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl(methoxy)methyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one?
The InChIKey is VNBAEZLHMDRVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-8-10(14)13(17)16-12(15-8)11(18-2)9-6-4-3-5-7-9/h9,11H,3-7H2,1-2H3,(H,15,16,17).
What are the key properties of 2-[cyclohexyl(methoxy)methyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one?
2-[cyclohexyl(methoxy)methyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one has a molecular weight of 254.30 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(methoxy)methyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136963835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).