3-[(1S,2S)-2-hydroxycyclopentyl]-6-methylpyrimidin-4-one

C10H14N2O2 — CID 102735100

IUPAC3-[(1S,2S)-2-hydroxycyclopentyl]-6-methylpyrimidin-4-one
SMILESCc1cc(=O)n([C@H]2CCC[C@@H]2O)cn1
InChIInChI=1S/C10H14N2O2/c1-7-5-10(14)12(6-11-7)8-3-2-4-9(8)13/h5-6,8-9,13H,2-4H2,1H3/t8-,9-/m0/s1
InChIKeyYQIIJMVKEYJBRJ-IUCAKERBSA-N
MW194.23 g/mol
LogP0.64
Rot. Bonds1

About 3-[(1S,2S)-2-hydroxycyclopentyl]-6-methylpyrimidin-4-one

3-[(1S,2S)-2-hydroxycyclopentyl]-6-methylpyrimidin-4-one (PubChem CID 102735100) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 3-[(1S,2S)-2-hydroxycyclopentyl]-6-methylpyrimidin-4-one.

Molecular Properties

Compound Name3-[(1S,2S)-2-hydroxycyclopentyl]-6-methylpyrimidin-4-one
PubChem CID102735100
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name3-[(1S,2S)-2-hydroxycyclopentyl]-6-methylpyrimidin-4-one
SMILESCc1cc(=O)n([C@H]2CCC[C@@H]2O)cn1
InChIInChI=1S/C10H14N2O2/c1-7-5-10(14)12(6-11-7)8-3-2-4-9(8)13/h5-6,8-9,13H,2-4H2,1H3/t8-,9-/m0/s1
InChIKeyYQIIJMVKEYJBRJ-IUCAKERBSA-N
XLogP0.64
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(1S,2S)-2-hydroxycyclopentyl]-6-methylpyrimidin-4-one?
The IUPAC name of 3-[(1S,2S)-2-hydroxycyclopentyl]-6-methylpyrimidin-4-one (CID 102735100) is 3-[(1S,2S)-2-hydroxycyclopentyl]-6-methylpyrimidin-4-one.
What is the SMILES notation for 3-[(1S,2S)-2-hydroxycyclopentyl]-6-methylpyrimidin-4-one?
The canonical SMILES for 3-[(1S,2S)-2-hydroxycyclopentyl]-6-methylpyrimidin-4-one is Cc1cc(=O)n([C@H]2CCC[C@@H]2O)cn1.
What is the InChIKey of 3-[(1S,2S)-2-hydroxycyclopentyl]-6-methylpyrimidin-4-one?
The InChIKey is YQIIJMVKEYJBRJ-IUCAKERBSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-7-5-10(14)12(6-11-7)8-3-2-4-9(8)13/h5-6,8-9,13H,2-4H2,1H3/t8-,9-/m0/s1.
What are the key properties of 3-[(1S,2S)-2-hydroxycyclopentyl]-6-methylpyrimidin-4-one?
3-[(1S,2S)-2-hydroxycyclopentyl]-6-methylpyrimidin-4-one has a molecular weight of 194.23 g/mol, XLogP of 0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S,2S)-2-hydroxycyclopentyl]-6-methylpyrimidin-4-one is sourced from PubChem (CID 102735100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).