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

C14H21FN2O2 — CID 136963832

IUPAC2-(1-ethoxycycloheptyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
SMILESCCOC1(c2nc(C)c(F)c(=O)[nH]2)CCCCCC1
InChIInChI=1S/C14H21FN2O2/c1-3-19-14(8-6-4-5-7-9-14)13-16-10(2)11(15)12(18)17-13/h3-9H2,1-2H3,(H,16,17,18)
InChIKeyVUKZKSJXNAWMLF-UHFFFAOYSA-N
MW268.33 g/mol
LogP2.80
Rot. Bonds3

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

2-(1-ethoxycycloheptyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one (PubChem CID 136963832) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is 2-(1-ethoxycycloheptyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-ethoxycycloheptyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
PubChem CID136963832
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Name2-(1-ethoxycycloheptyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
SMILESCCOC1(c2nc(C)c(F)c(=O)[nH]2)CCCCCC1
InChIInChI=1S/C14H21FN2O2/c1-3-19-14(8-6-4-5-7-9-14)13-16-10(2)11(15)12(18)17-13/h3-9H2,1-2H3,(H,16,17,18)
InChIKeyVUKZKSJXNAWMLF-UHFFFAOYSA-N
XLogP2.80
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 52.80
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-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-(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
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-methoxy-4,4-dimethylcyclohexyl)-4-methyl-1H-pyrimidin-6-one
CID 136963839

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxycycloheptyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-ethoxycycloheptyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one (CID 136963832) is 2-(1-ethoxycycloheptyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-ethoxycycloheptyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-ethoxycycloheptyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one is CCOC1(c2nc(C)c(F)c(=O)[nH]2)CCCCCC1.
What is the InChIKey of 2-(1-ethoxycycloheptyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one?
The InChIKey is VUKZKSJXNAWMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-3-19-14(8-6-4-5-7-9-14)13-16-10(2)11(15)12(18)17-13/h3-9H2,1-2H3,(H,16,17,18).
What are the key properties of 2-(1-ethoxycycloheptyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one?
2-(1-ethoxycycloheptyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one has a molecular weight of 268.33 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxycycloheptyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136963832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).