4-hydroxy-4-pyrimidin-2-ylcyclohexan-1-one

C10H12N2O2 — CID 59017430

IUPAC4-hydroxy-4-pyrimidin-2-ylcyclohexan-1-one
SMILESO=C1CCC(O)(c2ncccn2)CC1
InChIInChI=1S/C10H12N2O2/c13-8-2-4-10(14,5-3-8)9-11-6-1-7-12-9/h1,6-7,14H,2-5H2
InChIKeyFOZKLMLVBIHOAO-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.81
Rot. Bonds1

About 4-hydroxy-4-pyrimidin-2-ylcyclohexan-1-one

4-hydroxy-4-pyrimidin-2-ylcyclohexan-1-one (PubChem CID 59017430) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 4-hydroxy-4-pyrimidin-2-ylcyclohexan-1-one.

Molecular Properties

Compound Name4-hydroxy-4-pyrimidin-2-ylcyclohexan-1-one
PubChem CID59017430
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name4-hydroxy-4-pyrimidin-2-ylcyclohexan-1-one
SMILESO=C1CCC(O)(c2ncccn2)CC1
InChIInChI=1S/C10H12N2O2/c13-8-2-4-10(14,5-3-8)9-11-6-1-7-12-9/h1,6-7,14H,2-5H2
InChIKeyFOZKLMLVBIHOAO-UHFFFAOYSA-N
XLogP0.81
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4-pyrimidin-2-ylcyclohexan-1-one?
The IUPAC name of 4-hydroxy-4-pyrimidin-2-ylcyclohexan-1-one (CID 59017430) is 4-hydroxy-4-pyrimidin-2-ylcyclohexan-1-one.
What is the SMILES notation for 4-hydroxy-4-pyrimidin-2-ylcyclohexan-1-one?
The canonical SMILES for 4-hydroxy-4-pyrimidin-2-ylcyclohexan-1-one is O=C1CCC(O)(c2ncccn2)CC1.
What is the InChIKey of 4-hydroxy-4-pyrimidin-2-ylcyclohexan-1-one?
The InChIKey is FOZKLMLVBIHOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c13-8-2-4-10(14,5-3-8)9-11-6-1-7-12-9/h1,6-7,14H,2-5H2.
What are the key properties of 4-hydroxy-4-pyrimidin-2-ylcyclohexan-1-one?
4-hydroxy-4-pyrimidin-2-ylcyclohexan-1-one has a molecular weight of 192.22 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4-pyrimidin-2-ylcyclohexan-1-one is sourced from PubChem (CID 59017430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).