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

C9H12N2O2 — CID 102735164

IUPAC3-[(1S,2S)-2-hydroxycyclopentyl]pyrimidin-4-one
SMILESO=c1ccncn1[C@H]1CCC[C@@H]1O
InChIInChI=1S/C9H12N2O2/c12-8-3-1-2-7(8)11-6-10-5-4-9(11)13/h4-8,12H,1-3H2/t7-,8-/m0/s1
InChIKeyHGQLLLSEVSCXOA-YUMQZZPRSA-N
MW180.21 g/mol
LogP0.33
Rot. Bonds1

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

3-[(1S,2S)-2-hydroxycyclopentyl]pyrimidin-4-one (PubChem CID 102735164) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 3-[(1S,2S)-2-hydroxycyclopentyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(1S,2S)-2-hydroxycyclopentyl]pyrimidin-4-one
PubChem CID102735164
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name3-[(1S,2S)-2-hydroxycyclopentyl]pyrimidin-4-one
SMILESO=c1ccncn1[C@H]1CCC[C@@H]1O
InChIInChI=1S/C9H12N2O2/c12-8-3-1-2-7(8)11-6-10-5-4-9(11)13/h4-8,12H,1-3H2/t7-,8-/m0/s1
InChIKeyHGQLLLSEVSCXOA-YUMQZZPRSA-N
XLogP0.33
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.33
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]pyrimidin-4-one?
The IUPAC name of 3-[(1S,2S)-2-hydroxycyclopentyl]pyrimidin-4-one (CID 102735164) is 3-[(1S,2S)-2-hydroxycyclopentyl]pyrimidin-4-one.
What is the SMILES notation for 3-[(1S,2S)-2-hydroxycyclopentyl]pyrimidin-4-one?
The canonical SMILES for 3-[(1S,2S)-2-hydroxycyclopentyl]pyrimidin-4-one is O=c1ccncn1[C@H]1CCC[C@@H]1O.
What is the InChIKey of 3-[(1S,2S)-2-hydroxycyclopentyl]pyrimidin-4-one?
The InChIKey is HGQLLLSEVSCXOA-YUMQZZPRSA-N. The full InChI is InChI=1S/C9H12N2O2/c12-8-3-1-2-7(8)11-6-10-5-4-9(11)13/h4-8,12H,1-3H2/t7-,8-/m0/s1.
What are the key properties of 3-[(1S,2S)-2-hydroxycyclopentyl]pyrimidin-4-one?
3-[(1S,2S)-2-hydroxycyclopentyl]pyrimidin-4-one has a molecular weight of 180.21 g/mol, XLogP of 0.33, 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]pyrimidin-4-one is sourced from PubChem (CID 102735164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).