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

C11H16N2O2 — CID 136773811

IUPAC2-(1-methoxycyclopentyl)-4-methyl-1H-pyrimidin-6-one
SMILESCOC1(c2nc(C)cc(=O)[nH]2)CCCC1
InChIInChI=1S/C11H16N2O2/c1-8-7-9(14)13-10(12-8)11(15-2)5-3-4-6-11/h7H,3-6H2,1-2H3,(H,12,13,14)
InChIKeyCJXNOOWRANJJNV-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.49
Rot. Bonds2

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

2-(1-methoxycyclopentyl)-4-methyl-1H-pyrimidin-6-one (PubChem CID 136773811) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-(1-methoxycyclopentyl)-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-methoxycyclopentyl)-4-methyl-1H-pyrimidin-6-one
PubChem CID136773811
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2-(1-methoxycyclopentyl)-4-methyl-1H-pyrimidin-6-one
SMILESCOC1(c2nc(C)cc(=O)[nH]2)CCCC1
InChIInChI=1S/C11H16N2O2/c1-8-7-9(14)13-10(12-8)11(15-2)5-3-4-6-11/h7H,3-6H2,1-2H3,(H,12,13,14)
InChIKeyCJXNOOWRANJJNV-UHFFFAOYSA-N
XLogP1.49
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-2-(1-methoxycyclopentyl)-4-methyl-1H-pyrimidin-6-one
CID 136773823
2-(1-ethoxycyclopentyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136963830
2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
CID 104609905
4-hydroxy-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
CID 104609913
2-(1-ethoxycyclopentyl)-1H-pyrimidin-6-one
CID 116744921
2-(1-ethoxycyclopentyl)-4-hydroxy-1H-pyrimidin-6-one
CID 116745100
4-methyl-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
CID 136287883
4-methyl-2-(2-methyloxolan-2-yl)-1H-pyrimidin-6-one
CID 136297970
4-ethyl-2-(2-methyloxolan-2-yl)-1H-pyrimidin-6-one
CID 136297975
4-(methoxymethyl)-2-(2-methyloxolan-2-yl)-1H-pyrimidin-6-one
CID 136297991
4-cyclopentyl-2-(1-methoxyethyl)-1H-pyrimidin-6-one
CID 136729406
4-cyclopentyl-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
CID 136729567

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxycyclopentyl)-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-methoxycyclopentyl)-4-methyl-1H-pyrimidin-6-one (CID 136773811) is 2-(1-methoxycyclopentyl)-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-methoxycyclopentyl)-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-methoxycyclopentyl)-4-methyl-1H-pyrimidin-6-one is COC1(c2nc(C)cc(=O)[nH]2)CCCC1.
What is the InChIKey of 2-(1-methoxycyclopentyl)-4-methyl-1H-pyrimidin-6-one?
The InChIKey is CJXNOOWRANJJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-8-7-9(14)13-10(12-8)11(15-2)5-3-4-6-11/h7H,3-6H2,1-2H3,(H,12,13,14).
What are the key properties of 2-(1-methoxycyclopentyl)-4-methyl-1H-pyrimidin-6-one?
2-(1-methoxycyclopentyl)-4-methyl-1H-pyrimidin-6-one has a molecular weight of 208.26 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxycyclopentyl)-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136773811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).