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

C13H19FN2O2 — CID 136983392

IUPAC2-(1-ethoxycyclohexyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
SMILESCCOC1(c2nc(C)c(F)c(=O)[nH]2)CCCCC1
InChIInChI=1S/C13H19FN2O2/c1-3-18-13(7-5-4-6-8-13)12-15-9(2)10(14)11(17)16-12/h3-8H2,1-2H3,(H,15,16,17)
InChIKeyBCMHAFFFSJZTRT-UHFFFAOYSA-N
MW254.30 g/mol
LogP2.41
Rot. Bonds3

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

2-(1-ethoxycyclohexyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one (PubChem CID 136983392) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is 2-(1-ethoxycyclohexyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-ethoxycyclohexyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
PubChem CID136983392
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC Name2-(1-ethoxycyclohexyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
SMILESCCOC1(c2nc(C)c(F)c(=O)[nH]2)CCCCC1
InChIInChI=1S/C13H19FN2O2/c1-3-18-13(7-5-4-6-8-13)12-15-9(2)10(14)11(17)16-12/h3-8H2,1-2H3,(H,15,16,17)
InChIKeyBCMHAFFFSJZTRT-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-4-methyl-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
CID 136287916
5-fluoro-4-methyl-2-(2-methyloxolan-2-yl)-1H-pyrimidin-6-one
CID 136297961
5-fluoro-2-(1-methoxycyclopentyl)-4-methyl-1H-pyrimidin-6-one
CID 136773823
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-(2-ethoxybutan-2-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136963828
5-fluoro-2-(3-methoxypentan-3-yl)-4-methyl-1H-pyrimidin-6-one
CID 136963829
2-(1-ethoxycyclopentyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136963830
2-(3-ethoxypentan-3-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136963831
2-(1-ethoxycycloheptyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136963832

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxycyclohexyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-ethoxycyclohexyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one (CID 136983392) is 2-(1-ethoxycyclohexyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-ethoxycyclohexyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-ethoxycyclohexyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one is CCOC1(c2nc(C)c(F)c(=O)[nH]2)CCCCC1.
What is the InChIKey of 2-(1-ethoxycyclohexyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one?
The InChIKey is BCMHAFFFSJZTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-3-18-13(7-5-4-6-8-13)12-15-9(2)10(14)11(17)16-12/h3-8H2,1-2H3,(H,15,16,17).
What are the key properties of 2-(1-ethoxycyclohexyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one?
2-(1-ethoxycyclohexyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one has a molecular weight of 254.30 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxycyclohexyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136983392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).