2-cyclohexyloxy-4-methyl-1H-pyrimidin-6-one

C11H16N2O2 — CID 135803831

IUPAC2-cyclohexyloxy-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(OC2CCCCC2)n1
InChIInChI=1S/C11H16N2O2/c1-8-7-10(14)13-11(12-8)15-9-5-3-2-4-6-9/h7,9H,2-6H2,1H3,(H,12,13,14)
InChIKeyLEHVFCAPOJSWFC-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.79
Rot. Bonds2

About 2-cyclohexyloxy-4-methyl-1H-pyrimidin-6-one

2-cyclohexyloxy-4-methyl-1H-pyrimidin-6-one (PubChem CID 135803831) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-cyclohexyloxy-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclohexyloxy-4-methyl-1H-pyrimidin-6-one
PubChem CID135803831
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2-cyclohexyloxy-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(OC2CCCCC2)n1
InChIInChI=1S/C11H16N2O2/c1-8-7-10(14)13-11(12-8)15-9-5-3-2-4-6-9/h7,9H,2-6H2,1H3,(H,12,13,14)
InChIKeyLEHVFCAPOJSWFC-UHFFFAOYSA-N
XLogP1.79
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 ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Isopropoxy-4-methyl-6-hydroxypyrimidine
CID 135803833
2-n-Butoxy-4-hydroxy-6-methylpyrimidine
CID 137182906
2-dodecoxy-4-methyl-1H-pyrimidin-6-one
CID 135803821
2-Cyclohexyloxy-3,6-dimethylpyrimidin-4-one
CID 10911140
2-cyclohexyloxy-4,5-dimethyl-1H-pyrimidin-6-one
CID 137199815

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyloxy-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclohexyloxy-4-methyl-1H-pyrimidin-6-one (CID 135803831) is 2-cyclohexyloxy-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclohexyloxy-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclohexyloxy-4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(OC2CCCCC2)n1.
What is the InChIKey of 2-cyclohexyloxy-4-methyl-1H-pyrimidin-6-one?
The InChIKey is LEHVFCAPOJSWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-8-7-10(14)13-11(12-8)15-9-5-3-2-4-6-9/h7,9H,2-6H2,1H3,(H,12,13,14).
What are the key properties of 2-cyclohexyloxy-4-methyl-1H-pyrimidin-6-one?
2-cyclohexyloxy-4-methyl-1H-pyrimidin-6-one has a molecular weight of 208.26 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyloxy-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135803831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).