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

C14H21FN2O2 — CID 136963825

IUPAC2-[cyclohexyl(ethoxy)methyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one
SMILESCCOC(c1nc(C)c(F)c(=O)[nH]1)C1CCCCC1
InChIInChI=1S/C14H21FN2O2/c1-3-19-12(10-7-5-4-6-8-10)13-16-9(2)11(15)14(18)17-13/h10,12H,3-8H2,1-2H3,(H,16,17,18)
InChIKeyGWIKEWWLVKGJIZ-UHFFFAOYSA-N
MW268.33 g/mol
LogP2.88
Rot. Bonds4

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

2-[cyclohexyl(ethoxy)methyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one (PubChem CID 136963825) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is 2-[cyclohexyl(ethoxy)methyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[cyclohexyl(ethoxy)methyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one
PubChem CID136963825
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Name2-[cyclohexyl(ethoxy)methyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one
SMILESCCOC(c1nc(C)c(F)c(=O)[nH]1)C1CCCCC1
InChIInChI=1S/C14H21FN2O2/c1-3-19-12(10-7-5-4-6-8-10)13-16-9(2)11(15)14(18)17-13/h10,12H,3-8H2,1-2H3,(H,16,17,18)
InChIKeyGWIKEWWLVKGJIZ-UHFFFAOYSA-N
XLogP2.88
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 52.88
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-(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-[cyclohexyl(methoxy)methyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136963835
2-(1-ethoxy-4,4-dimethylcyclohexyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136963838
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
5-amino-2-[cyclohexyl(ethoxy)methyl]-1H-pyrimidin-6-one
CID 114207019

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(ethoxy)methyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[cyclohexyl(ethoxy)methyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one (CID 136963825) is 2-[cyclohexyl(ethoxy)methyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[cyclohexyl(ethoxy)methyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[cyclohexyl(ethoxy)methyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one is CCOC(c1nc(C)c(F)c(=O)[nH]1)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl(ethoxy)methyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one?
The InChIKey is GWIKEWWLVKGJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-3-19-12(10-7-5-4-6-8-10)13-16-9(2)11(15)14(18)17-13/h10,12H,3-8H2,1-2H3,(H,16,17,18).
What are the key properties of 2-[cyclohexyl(ethoxy)methyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one?
2-[cyclohexyl(ethoxy)methyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one has a molecular weight of 268.33 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(ethoxy)methyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136963825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).