4-[4-(hydroxymethyl)cyclohexyl]oxy-1H-pyrimidin-6-one

C11H16N2O3 — CID 106825644

IUPAC4-[4-(hydroxymethyl)cyclohexyl]oxy-1H-pyrimidin-6-one
SMILESO=c1cc(OC2CCC(CO)CC2)nc[nH]1
InChIInChI=1S/C11H16N2O3/c14-6-8-1-3-9(4-2-8)16-11-5-10(15)12-7-13-11/h5,7-9,14H,1-4,6H2,(H,12,13,15)
InChIKeyPIZOLFLEJOEMCX-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.70
Rot. Bonds3

About 4-[4-(hydroxymethyl)cyclohexyl]oxy-1H-pyrimidin-6-one

4-[4-(hydroxymethyl)cyclohexyl]oxy-1H-pyrimidin-6-one (PubChem CID 106825644) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 4-[4-(hydroxymethyl)cyclohexyl]oxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[4-(hydroxymethyl)cyclohexyl]oxy-1H-pyrimidin-6-one
PubChem CID106825644
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name4-[4-(hydroxymethyl)cyclohexyl]oxy-1H-pyrimidin-6-one
SMILESO=c1cc(OC2CCC(CO)CC2)nc[nH]1
InChIInChI=1S/C11H16N2O3/c14-6-8-1-3-9(4-2-8)16-11-5-10(15)12-7-13-11/h5,7-9,14H,1-4,6H2,(H,12,13,15)
InChIKeyPIZOLFLEJOEMCX-UHFFFAOYSA-N
XLogP0.70
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[4-(hydroxymethyl)cyclohexyl]oxy-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

6-(Cyclohexylmethoxy)pyrimidin-4-ol
CID 103241610
4-(3-methylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 103240518
4-(4-methylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 103240634
4-(2-ethylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 103240648
4-(2-methylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 103240658
4-(3-ethylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 103241730
5-amino-4-[4-(hydroxymethyl)cyclohexyl]oxy-1H-pyrimidin-6-one
CID 106825679
4-[4-(hydroxymethyl)cyclohexyl]oxy-5-iodo-1H-pyrimidin-6-one
CID 106825680
5-chloro-4-[4-(hydroxymethyl)cyclohexyl]oxy-1H-pyrimidin-6-one
CID 106825862
4-[4-(hydroxymethyl)cyclohexyl]oxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 106825901
4-[4-(hydroxymethyl)cyclohexyl]oxy-5-methoxy-1H-pyrimidin-6-one
CID 106825902
5-bromo-4-[4-(hydroxymethyl)cyclohexyl]oxy-1H-pyrimidin-6-one
CID 113881492

Frequently Asked Questions

What is the IUPAC name of 4-[4-(hydroxymethyl)cyclohexyl]oxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[4-(hydroxymethyl)cyclohexyl]oxy-1H-pyrimidin-6-one (CID 106825644) is 4-[4-(hydroxymethyl)cyclohexyl]oxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[4-(hydroxymethyl)cyclohexyl]oxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[4-(hydroxymethyl)cyclohexyl]oxy-1H-pyrimidin-6-one is O=c1cc(OC2CCC(CO)CC2)nc[nH]1.
What is the InChIKey of 4-[4-(hydroxymethyl)cyclohexyl]oxy-1H-pyrimidin-6-one?
The InChIKey is PIZOLFLEJOEMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c14-6-8-1-3-9(4-2-8)16-11-5-10(15)12-7-13-11/h5,7-9,14H,1-4,6H2,(H,12,13,15).
What are the key properties of 4-[4-(hydroxymethyl)cyclohexyl]oxy-1H-pyrimidin-6-one?
4-[4-(hydroxymethyl)cyclohexyl]oxy-1H-pyrimidin-6-one has a molecular weight of 224.26 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(hydroxymethyl)cyclohexyl]oxy-1H-pyrimidin-6-one is sourced from PubChem (CID 106825644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).