2-cyclohexyl-4-hydroxy-5-methyl-1H-pyrimidin-6-one

C11H16N2O2 — CID 63612774

IUPAC2-cyclohexyl-4-hydroxy-5-methyl-1H-pyrimidin-6-one
SMILESCc1c(O)nc(C2CCCCC2)[nH]c1=O
InChIInChI=1S/C11H16N2O2/c1-7-10(14)12-9(13-11(7)15)8-5-3-2-4-6-8/h8H,2-6H2,1H3,(H2,12,13,14,15)
InChIKeyGDYIOTMDCWARMC-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.83
Rot. Bonds1

About 2-cyclohexyl-4-hydroxy-5-methyl-1H-pyrimidin-6-one

2-cyclohexyl-4-hydroxy-5-methyl-1H-pyrimidin-6-one (PubChem CID 63612774) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-cyclohexyl-4-hydroxy-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclohexyl-4-hydroxy-5-methyl-1H-pyrimidin-6-one
PubChem CID63612774
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2-cyclohexyl-4-hydroxy-5-methyl-1H-pyrimidin-6-one
SMILESCc1c(O)nc(C2CCCCC2)[nH]c1=O
InChIInChI=1S/C11H16N2O2/c1-7-10(14)12-9(13-11(7)15)8-5-3-2-4-6-8/h8H,2-6H2,1H3,(H2,12,13,14,15)
InChIKeyGDYIOTMDCWARMC-UHFFFAOYSA-N
XLogP1.83
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclohexyl-4-hydroxy-5-methyl-1H-pyrimidin-6-one (CID 63612774) is 2-cyclohexyl-4-hydroxy-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclohexyl-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclohexyl-4-hydroxy-5-methyl-1H-pyrimidin-6-one is Cc1c(O)nc(C2CCCCC2)[nH]c1=O.
What is the InChIKey of 2-cyclohexyl-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The InChIKey is GDYIOTMDCWARMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-7-10(14)12-9(13-11(7)15)8-5-3-2-4-6-8/h8H,2-6H2,1H3,(H2,12,13,14,15).
What are the key properties of 2-cyclohexyl-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
2-cyclohexyl-4-hydroxy-5-methyl-1H-pyrimidin-6-one has a molecular weight of 208.26 g/mol, XLogP of 1.83, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-4-hydroxy-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 63612774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).