3-(2-hydroxycyclopentyl)-5,6-dimethylpyrimidin-4-one

C11H16N2O2 — CID 126857574

IUPAC3-(2-hydroxycyclopentyl)-5,6-dimethylpyrimidin-4-one
SMILESCc1ncn(C2CCCC2O)c(=O)c1C
InChIInChI=1S/C11H16N2O2/c1-7-8(2)12-6-13(11(7)15)9-4-3-5-10(9)14/h6,9-10,14H,3-5H2,1-2H3
InChIKeyVGHARFGFZQLUQH-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.95
Rot. Bonds1

About 3-(2-hydroxycyclopentyl)-5,6-dimethylpyrimidin-4-one

3-(2-hydroxycyclopentyl)-5,6-dimethylpyrimidin-4-one (PubChem CID 126857574) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-(2-hydroxycyclopentyl)-5,6-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name3-(2-hydroxycyclopentyl)-5,6-dimethylpyrimidin-4-one
PubChem CID126857574
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name3-(2-hydroxycyclopentyl)-5,6-dimethylpyrimidin-4-one
SMILESCc1ncn(C2CCCC2O)c(=O)c1C
InChIInChI=1S/C11H16N2O2/c1-7-8(2)12-6-13(11(7)15)9-4-3-5-10(9)14/h6,9-10,14H,3-5H2,1-2H3
InChIKeyVGHARFGFZQLUQH-UHFFFAOYSA-N
XLogP0.95
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxycyclopentyl)-5,6-dimethylpyrimidin-4-one?
The IUPAC name of 3-(2-hydroxycyclopentyl)-5,6-dimethylpyrimidin-4-one (CID 126857574) is 3-(2-hydroxycyclopentyl)-5,6-dimethylpyrimidin-4-one.
What is the SMILES notation for 3-(2-hydroxycyclopentyl)-5,6-dimethylpyrimidin-4-one?
The canonical SMILES for 3-(2-hydroxycyclopentyl)-5,6-dimethylpyrimidin-4-one is Cc1ncn(C2CCCC2O)c(=O)c1C.
What is the InChIKey of 3-(2-hydroxycyclopentyl)-5,6-dimethylpyrimidin-4-one?
The InChIKey is VGHARFGFZQLUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-7-8(2)12-6-13(11(7)15)9-4-3-5-10(9)14/h6,9-10,14H,3-5H2,1-2H3.
What are the key properties of 3-(2-hydroxycyclopentyl)-5,6-dimethylpyrimidin-4-one?
3-(2-hydroxycyclopentyl)-5,6-dimethylpyrimidin-4-one has a molecular weight of 208.26 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxycyclopentyl)-5,6-dimethylpyrimidin-4-one is sourced from PubChem (CID 126857574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).