2-(1-methoxycyclohexyl)-1H-pyrimidin-6-one

C11H16N2O2 — CID 116744916

IUPAC2-(1-methoxycyclohexyl)-1H-pyrimidin-6-one
SMILESCOC1(c2nccc(=O)[nH]2)CCCCC1
InChIInChI=1S/C11H16N2O2/c1-15-11(6-3-2-4-7-11)10-12-8-5-9(14)13-10/h5,8H,2-4,6-7H2,1H3,(H,12,13,14)
InChIKeyYWOSQAJAFKPOGZ-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.58
Rot. Bonds2

About 2-(1-methoxycyclohexyl)-1H-pyrimidin-6-one

2-(1-methoxycyclohexyl)-1H-pyrimidin-6-one (PubChem CID 116744916) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-(1-methoxycyclohexyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-methoxycyclohexyl)-1H-pyrimidin-6-one
PubChem CID116744916
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2-(1-methoxycyclohexyl)-1H-pyrimidin-6-one
SMILESCOC1(c2nccc(=O)[nH]2)CCCCC1
InChIInChI=1S/C11H16N2O2/c1-15-11(6-3-2-4-7-11)10-12-8-5-9(14)13-10/h5,8H,2-4,6-7H2,1H3,(H,12,13,14)
InChIKeyYWOSQAJAFKPOGZ-UHFFFAOYSA-N
XLogP1.58
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
CID 80690677
2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
CID 104609905
2-[cyclohexyl(ethoxy)methyl]-1H-pyrimidin-6-one
CID 113559510
2-(1-ethoxy-4,4-dimethylcyclohexyl)-1H-pyrimidin-6-one
CID 113559511
4-hydroxy-2-(1-methoxy-4-methylcyclohexyl)-1H-pyrimidin-6-one
CID 113559533
5-bromo-2-(1-methoxy-4-methylcyclohexyl)-1H-pyrimidin-6-one
CID 113559575
2-(1-ethoxycyclohexyl)-5-iodo-1H-pyrimidin-6-one
CID 113559579
5-iodo-2-(1-methoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one
CID 113559580
2-(1-ethoxycyclohexyl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 113563473
2-(1-methoxy-4-methylcyclohexyl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 113563474
5-amino-2-(1-methoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one
CID 114207002
5-amino-2-(1-ethoxycyclohexyl)-1H-pyrimidin-6-one
CID 114207018

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxycyclohexyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-methoxycyclohexyl)-1H-pyrimidin-6-one (CID 116744916) is 2-(1-methoxycyclohexyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-methoxycyclohexyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-methoxycyclohexyl)-1H-pyrimidin-6-one is COC1(c2nccc(=O)[nH]2)CCCCC1.
What is the InChIKey of 2-(1-methoxycyclohexyl)-1H-pyrimidin-6-one?
The InChIKey is YWOSQAJAFKPOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-15-11(6-3-2-4-7-11)10-12-8-5-9(14)13-10/h5,8H,2-4,6-7H2,1H3,(H,12,13,14).
What are the key properties of 2-(1-methoxycyclohexyl)-1H-pyrimidin-6-one?
2-(1-methoxycyclohexyl)-1H-pyrimidin-6-one has a molecular weight of 208.26 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxycyclohexyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 116744916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).