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

C11H16N2O3 — CID 104609914

IUPAC4-hydroxy-2-(1-methoxycyclopentyl)-5-methyl-1H-pyrimidin-6-one
SMILESCOC1(c2nc(O)c(C)c(=O)[nH]2)CCCC1
InChIInChI=1S/C11H16N2O3/c1-7-8(14)12-10(13-9(7)15)11(16-2)5-3-4-6-11/h3-6H2,1-2H3,(H2,12,13,14,15)
InChIKeyKLXIOSFNZLGCSE-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.20
Rot. Bonds2

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

4-hydroxy-2-(1-methoxycyclopentyl)-5-methyl-1H-pyrimidin-6-one (PubChem CID 104609914) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 4-hydroxy-2-(1-methoxycyclopentyl)-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-(1-methoxycyclopentyl)-5-methyl-1H-pyrimidin-6-one
PubChem CID104609914
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name4-hydroxy-2-(1-methoxycyclopentyl)-5-methyl-1H-pyrimidin-6-one
SMILESCOC1(c2nc(O)c(C)c(=O)[nH]2)CCCC1
InChIInChI=1S/C11H16N2O3/c1-7-8(14)12-10(13-9(7)15)11(16-2)5-3-4-6-11/h3-6H2,1-2H3,(H2,12,13,14,15)
InChIKeyKLXIOSFNZLGCSE-UHFFFAOYSA-N
XLogP1.20
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-hydroxy-2-(1-methoxycyclopentyl)-5-methyl-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-hydroxy-5-methyl-2-(2-methyloxolan-2-yl)-1H-pyrimidin-6-one
CID 80166194
5-ethyl-4-hydroxy-2-(2-methyloxolan-2-yl)-1H-pyrimidin-6-one
CID 80166195
4-hydroxy-2-(2-methyloxolan-2-yl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 80166289
4-hydroxy-5-methyl-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
CID 80691519
5-ethyl-4-hydroxy-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
CID 80691642
4-hydroxy-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
CID 104609913
5-ethyl-4-hydroxy-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
CID 104609915
4-hydroxy-2-(1-methoxycyclopentyl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 104609916
5-bromo-4-hydroxy-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
CID 104609920
4-hydroxy-5-iodo-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
CID 104609921
5-cyclopentyl-4-hydroxy-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
CID 104609940
5-(aminomethyl)-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
CID 104612126

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(1-methoxycyclopentyl)-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-(1-methoxycyclopentyl)-5-methyl-1H-pyrimidin-6-one (CID 104609914) is 4-hydroxy-2-(1-methoxycyclopentyl)-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-(1-methoxycyclopentyl)-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-(1-methoxycyclopentyl)-5-methyl-1H-pyrimidin-6-one is COC1(c2nc(O)c(C)c(=O)[nH]2)CCCC1.
What is the InChIKey of 4-hydroxy-2-(1-methoxycyclopentyl)-5-methyl-1H-pyrimidin-6-one?
The InChIKey is KLXIOSFNZLGCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-7-8(14)12-10(13-9(7)15)11(16-2)5-3-4-6-11/h3-6H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 4-hydroxy-2-(1-methoxycyclopentyl)-5-methyl-1H-pyrimidin-6-one?
4-hydroxy-2-(1-methoxycyclopentyl)-5-methyl-1H-pyrimidin-6-one has a molecular weight of 224.26 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(1-methoxycyclopentyl)-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 104609914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).