2-[cyclohexyl(methoxy)methyl]-1H-pyrimidin-6-one

C12H18N2O2 — CID 116744929

IUPAC2-[cyclohexyl(methoxy)methyl]-1H-pyrimidin-6-one
SMILESCOC(c1nccc(=O)[nH]1)C1CCCCC1
InChIInChI=1S/C12H18N2O2/c1-16-11(9-5-3-2-4-6-9)12-13-8-7-10(15)14-12/h7-9,11H,2-6H2,1H3,(H,13,14,15)
InChIKeyBCJFFLYRNZLMNS-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.04
Rot. Bonds3

About 2-[cyclohexyl(methoxy)methyl]-1H-pyrimidin-6-one

2-[cyclohexyl(methoxy)methyl]-1H-pyrimidin-6-one (PubChem CID 116744929) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-[cyclohexyl(methoxy)methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[cyclohexyl(methoxy)methyl]-1H-pyrimidin-6-one
PubChem CID116744929
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-[cyclohexyl(methoxy)methyl]-1H-pyrimidin-6-one
SMILESCOC(c1nccc(=O)[nH]1)C1CCCCC1
InChIInChI=1S/C12H18N2O2/c1-16-11(9-5-3-2-4-6-9)12-13-8-7-10(15)14-12/h7-9,11H,2-6H2,1H3,(H,13,14,15)
InChIKeyBCJFFLYRNZLMNS-UHFFFAOYSA-N
XLogP2.04
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[cyclohexyl(methoxy)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-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
CID 80690677
2-[cyclohexyl(ethoxy)methyl]-1H-pyrimidin-6-one
CID 113559510
2-(1-ethoxy-4,4-dimethylcyclohexyl)-1H-pyrimidin-6-one
CID 113559511
2-[cyclohexyl(ethoxy)methyl]-4-hydroxy-1H-pyrimidin-6-one
CID 113559531
2-[cyclohexyl(ethoxy)methyl]-5-iodo-1H-pyrimidin-6-one
CID 113559578
5-(chloromethyl)-2-[cyclohexyl(ethoxy)methyl]-1H-pyrimidin-6-one
CID 114205222
5-amino-2-[cyclohexyl(ethoxy)methyl]-1H-pyrimidin-6-one
CID 114207019
2-(1-ethoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one
CID 116744914
2-(1-methoxycycloheptyl)-1H-pyrimidin-6-one
CID 116744915
2-(1-methoxycyclohexyl)-1H-pyrimidin-6-one
CID 116744916
2-(1-ethoxy-4-methylcyclohexyl)-1H-pyrimidin-6-one
CID 116744917
2-(1-ethoxycyclopentyl)-1H-pyrimidin-6-one
CID 116744921

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(methoxy)methyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-[cyclohexyl(methoxy)methyl]-1H-pyrimidin-6-one (CID 116744929) is 2-[cyclohexyl(methoxy)methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[cyclohexyl(methoxy)methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-[cyclohexyl(methoxy)methyl]-1H-pyrimidin-6-one is COC(c1nccc(=O)[nH]1)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl(methoxy)methyl]-1H-pyrimidin-6-one?
The InChIKey is BCJFFLYRNZLMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-16-11(9-5-3-2-4-6-9)12-13-8-7-10(15)14-12/h7-9,11H,2-6H2,1H3,(H,13,14,15).
What are the key properties of 2-[cyclohexyl(methoxy)methyl]-1H-pyrimidin-6-one?
2-[cyclohexyl(methoxy)methyl]-1H-pyrimidin-6-one has a molecular weight of 222.29 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(methoxy)methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 116744929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).