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

C10H14N2O2 — CID 103240539

IUPAC4-cyclohexyloxy-1H-pyrimidin-6-one
SMILESO=c1cc(OC2CCCCC2)nc[nH]1
InChIInChI=1S/C10H14N2O2/c13-9-6-10(12-7-11-9)14-8-4-2-1-3-5-8/h6-8H,1-5H2,(H,11,12,13)
InChIKeyOZVQBSFRZWDLLS-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.48
Rot. Bonds2

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

4-cyclohexyloxy-1H-pyrimidin-6-one (PubChem CID 103240539) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 4-cyclohexyloxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-cyclohexyloxy-1H-pyrimidin-6-one
PubChem CID103240539
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name4-cyclohexyloxy-1H-pyrimidin-6-one
SMILESO=c1cc(OC2CCCCC2)nc[nH]1
InChIInChI=1S/C10H14N2O2/c13-9-6-10(12-7-11-9)14-8-4-2-1-3-5-8/h6-8H,1-5H2,(H,11,12,13)
InChIKeyOZVQBSFRZWDLLS-UHFFFAOYSA-N
XLogP1.48
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyloxy-1H-pyrimidin-6-one?
The IUPAC name of 4-cyclohexyloxy-1H-pyrimidin-6-one (CID 103240539) is 4-cyclohexyloxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-cyclohexyloxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-cyclohexyloxy-1H-pyrimidin-6-one is O=c1cc(OC2CCCCC2)nc[nH]1.
What is the InChIKey of 4-cyclohexyloxy-1H-pyrimidin-6-one?
The InChIKey is OZVQBSFRZWDLLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c13-9-6-10(12-7-11-9)14-8-4-2-1-3-5-8/h6-8H,1-5H2,(H,11,12,13).
What are the key properties of 4-cyclohexyloxy-1H-pyrimidin-6-one?
4-cyclohexyloxy-1H-pyrimidin-6-one has a molecular weight of 194.23 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyloxy-1H-pyrimidin-6-one is sourced from PubChem (CID 103240539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).