2-(cyclohexylmethyl)-4-hydroxy-1H-pyrimidin-6-one

C11H16N2O2 — CID 67282804

IUPAC2-(cyclohexylmethyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1cc(O)nc(CC2CCCCC2)[nH]1
InChIInChI=1S/C11H16N2O2/c14-10-7-11(15)13-9(12-10)6-8-4-2-1-3-5-8/h7-8H,1-6H2,(H2,12,13,14,15)
InChIKeyIINJSWHHFGKHLU-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.60
Rot. Bonds2

About 2-(cyclohexylmethyl)-4-hydroxy-1H-pyrimidin-6-one

2-(cyclohexylmethyl)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 67282804) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-(cyclohexylmethyl)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(cyclohexylmethyl)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID67282804
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2-(cyclohexylmethyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1cc(O)nc(CC2CCCCC2)[nH]1
InChIInChI=1S/C11H16N2O2/c14-10-7-11(15)13-9(12-10)6-8-4-2-1-3-5-8/h7-8H,1-6H2,(H2,12,13,14,15)
InChIKeyIINJSWHHFGKHLU-UHFFFAOYSA-N
XLogP1.60
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethyl)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-(cyclohexylmethyl)-4-hydroxy-1H-pyrimidin-6-one (CID 67282804) is 2-(cyclohexylmethyl)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(cyclohexylmethyl)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-(cyclohexylmethyl)-4-hydroxy-1H-pyrimidin-6-one is O=c1cc(O)nc(CC2CCCCC2)[nH]1.
What is the InChIKey of 2-(cyclohexylmethyl)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is IINJSWHHFGKHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c14-10-7-11(15)13-9(12-10)6-8-4-2-1-3-5-8/h7-8H,1-6H2,(H2,12,13,14,15).
What are the key properties of 2-(cyclohexylmethyl)-4-hydroxy-1H-pyrimidin-6-one?
2-(cyclohexylmethyl)-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 208.26 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethyl)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 67282804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).