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

C12H18N2O3 — CID 116745118

IUPAC2-(1-ethoxycyclopentyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
SMILESCCOC1(c2nc(O)c(C)c(=O)[nH]2)CCCC1
InChIInChI=1S/C12H18N2O3/c1-3-17-12(6-4-5-7-12)11-13-9(15)8(2)10(16)14-11/h3-7H2,1-2H3,(H2,13,14,15,16)
InChIKeyNMDINBABKJEBMO-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.59
Rot. Bonds3

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

2-(1-ethoxycyclopentyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one (PubChem CID 116745118) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-(1-ethoxycyclopentyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-ethoxycyclopentyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
PubChem CID116745118
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name2-(1-ethoxycyclopentyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
SMILESCCOC1(c2nc(O)c(C)c(=O)[nH]2)CCCC1
InChIInChI=1S/C12H18N2O3/c1-3-17-12(6-4-5-7-12)11-13-9(15)8(2)10(16)14-11/h3-7H2,1-2H3,(H2,13,14,15,16)
InChIKeyNMDINBABKJEBMO-UHFFFAOYSA-N
XLogP1.59
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(1-ethoxycyclopentyl)-4-hydroxy-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

2-(1-ethoxycyclopentyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136963830
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-propyl-1H-pyrimidin-6-one
CID 80166288
4-hydroxy-2-(2-methyloxolan-2-yl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 80166289
4-hydroxy-5-iodo-2-(2-methyloxolan-2-yl)-1H-pyrimidin-6-one
CID 80166555
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-(2-methyloxan-2-yl)-5-propyl-1H-pyrimidin-6-one
CID 80691643
4-hydroxy-2-(2-methyloxan-2-yl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 80691793
4-hydroxy-5-methyl-2-(5-methyloxolan-2-yl)-1H-pyrimidin-6-one
CID 82838314
4-hydroxy-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
CID 104609913

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxycyclopentyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-ethoxycyclopentyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one (CID 116745118) is 2-(1-ethoxycyclopentyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-ethoxycyclopentyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-ethoxycyclopentyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one is CCOC1(c2nc(O)c(C)c(=O)[nH]2)CCCC1.
What is the InChIKey of 2-(1-ethoxycyclopentyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The InChIKey is NMDINBABKJEBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-3-17-12(6-4-5-7-12)11-13-9(15)8(2)10(16)14-11/h3-7H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 2-(1-ethoxycyclopentyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
2-(1-ethoxycyclopentyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one has a molecular weight of 238.29 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxycyclopentyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 116745118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).