2-(1-ethoxycyclohexyl)-4-hydroxy-1H-pyrimidin-6-one

C12H18N2O3 — CID 116745104

IUPAC2-(1-ethoxycyclohexyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESCCOC1(c2nc(O)cc(=O)[nH]2)CCCCC1
InChIInChI=1S/C12H18N2O3/c1-2-17-12(6-4-3-5-7-12)11-13-9(15)8-10(16)14-11/h8H,2-7H2,1H3,(H2,13,14,15,16)
InChIKeyQHLLFBXQNOOMBG-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.67
Rot. Bonds3

About 2-(1-ethoxycyclohexyl)-4-hydroxy-1H-pyrimidin-6-one

2-(1-ethoxycyclohexyl)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 116745104) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-(1-ethoxycyclohexyl)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-ethoxycyclohexyl)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID116745104
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name2-(1-ethoxycyclohexyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESCCOC1(c2nc(O)cc(=O)[nH]2)CCCCC1
InChIInChI=1S/C12H18N2O3/c1-2-17-12(6-4-3-5-7-12)11-13-9(15)8-10(16)14-11/h8H,2-7H2,1H3,(H2,13,14,15,16)
InChIKeyQHLLFBXQNOOMBG-UHFFFAOYSA-N
XLogP1.67
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 ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(1-ethoxycyclohexyl)-4-hydroxy-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-2-(2-methyloxolan-2-yl)-1H-pyrimidin-6-one
CID 80166106
4-hydroxy-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
CID 80691518
4-hydroxy-5-methyl-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
CID 80691519
4-hydroxy-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
CID 104609913
2-(1-ethoxy-4,4-dimethylcyclohexyl)-1H-pyrimidin-6-one
CID 113559511
2-(1-ethoxy-3-methylcyclohexyl)-4-hydroxy-1H-pyrimidin-6-one
CID 113559530
2-[cyclohexyl(ethoxy)methyl]-4-hydroxy-1H-pyrimidin-6-one
CID 113559531
2-(1-ethoxy-4-methylcyclohexyl)-4-hydroxy-1H-pyrimidin-6-one
CID 113559532
4-hydroxy-2-(1-methoxy-4-methylcyclohexyl)-1H-pyrimidin-6-one
CID 113559533
4-hydroxy-2-(1-methoxycyclohexyl)-5-methyl-1H-pyrimidin-6-one
CID 113559535
2-(1-ethoxycyclohexyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 113559537
5-ethyl-4-hydroxy-2-(1-methoxycyclohexyl)-1H-pyrimidin-6-one
CID 113559540

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxycyclohexyl)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-ethoxycyclohexyl)-4-hydroxy-1H-pyrimidin-6-one (CID 116745104) is 2-(1-ethoxycyclohexyl)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-ethoxycyclohexyl)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-ethoxycyclohexyl)-4-hydroxy-1H-pyrimidin-6-one is CCOC1(c2nc(O)cc(=O)[nH]2)CCCCC1.
What is the InChIKey of 2-(1-ethoxycyclohexyl)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is QHLLFBXQNOOMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-2-17-12(6-4-3-5-7-12)11-13-9(15)8-10(16)14-11/h8H,2-7H2,1H3,(H2,13,14,15,16).
What are the key properties of 2-(1-ethoxycyclohexyl)-4-hydroxy-1H-pyrimidin-6-one?
2-(1-ethoxycyclohexyl)-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 238.29 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxycyclohexyl)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 116745104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).