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

C11H15FN2O2 — CID 136773823

IUPAC5-fluoro-2-(1-methoxycyclopentyl)-4-methyl-1H-pyrimidin-6-one
SMILESCOC1(c2nc(C)c(F)c(=O)[nH]2)CCCC1
InChIInChI=1S/C11H15FN2O2/c1-7-8(12)9(15)14-10(13-7)11(16-2)5-3-4-6-11/h3-6H2,1-2H3,(H,13,14,15)
InChIKeyRNINADQTLNZKPS-UHFFFAOYSA-N
MW226.25 g/mol
LogP1.63
Rot. Bonds2

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

5-fluoro-2-(1-methoxycyclopentyl)-4-methyl-1H-pyrimidin-6-one (PubChem CID 136773823) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is 5-fluoro-2-(1-methoxycyclopentyl)-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-fluoro-2-(1-methoxycyclopentyl)-4-methyl-1H-pyrimidin-6-one
PubChem CID136773823
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC Name5-fluoro-2-(1-methoxycyclopentyl)-4-methyl-1H-pyrimidin-6-one
SMILESCOC1(c2nc(C)c(F)c(=O)[nH]2)CCCC1
InChIInChI=1S/C11H15FN2O2/c1-7-8(12)9(15)14-10(13-7)11(16-2)5-3-4-6-11/h3-6H2,1-2H3,(H,13,14,15)
InChIKeyRNINADQTLNZKPS-UHFFFAOYSA-N
XLogP1.63
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 51.63
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-methoxycycloheptyl)-4-methyl-1H-pyrimidin-6-one
CID 136963824
2-(1-ethoxy-4-methylcyclohexyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136963826
5-fluoro-2-(2-methoxybutan-2-yl)-4-methyl-1H-pyrimidin-6-one
CID 136963827
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
5-fluoro-2-(1-methoxy-4-methylcyclohexyl)-4-methyl-1H-pyrimidin-6-one
CID 136963834
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

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(1-methoxycyclopentyl)-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-fluoro-2-(1-methoxycyclopentyl)-4-methyl-1H-pyrimidin-6-one (CID 136773823) is 5-fluoro-2-(1-methoxycyclopentyl)-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-fluoro-2-(1-methoxycyclopentyl)-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-fluoro-2-(1-methoxycyclopentyl)-4-methyl-1H-pyrimidin-6-one is COC1(c2nc(C)c(F)c(=O)[nH]2)CCCC1.
What is the InChIKey of 5-fluoro-2-(1-methoxycyclopentyl)-4-methyl-1H-pyrimidin-6-one?
The InChIKey is RNINADQTLNZKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2/c1-7-8(12)9(15)14-10(13-7)11(16-2)5-3-4-6-11/h3-6H2,1-2H3,(H,13,14,15).
What are the key properties of 5-fluoro-2-(1-methoxycyclopentyl)-4-methyl-1H-pyrimidin-6-one?
5-fluoro-2-(1-methoxycyclopentyl)-4-methyl-1H-pyrimidin-6-one has a molecular weight of 226.25 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(1-methoxycyclopentyl)-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136773823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).