4-hydroxy-2-(oxolan-2-yl)-1H-pyrimidin-6-one

C8H10N2O3 — CID 65331574

IUPAC4-hydroxy-2-(oxolan-2-yl)-1H-pyrimidin-6-one
SMILESO=c1cc(O)nc(C2CCCO2)[nH]1
InChIInChI=1S/C8H10N2O3/c11-6-4-7(12)10-8(9-6)5-2-1-3-13-5/h4-5H,1-3H2,(H2,9,10,11,12)
InChIKeySATHYPRQHMFPAX-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.33
Rot. Bonds1

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

4-hydroxy-2-(oxolan-2-yl)-1H-pyrimidin-6-one (PubChem CID 65331574) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 4-hydroxy-2-(oxolan-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-(oxolan-2-yl)-1H-pyrimidin-6-one
PubChem CID65331574
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name4-hydroxy-2-(oxolan-2-yl)-1H-pyrimidin-6-one
SMILESO=c1cc(O)nc(C2CCCO2)[nH]1
InChIInChI=1S/C8H10N2O3/c11-6-4-7(12)10-8(9-6)5-2-1-3-13-5/h4-5H,1-3H2,(H2,9,10,11,12)
InChIKeySATHYPRQHMFPAX-UHFFFAOYSA-N
XLogP0.33
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(oxolan-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-(oxolan-2-yl)-1H-pyrimidin-6-one (CID 65331574) is 4-hydroxy-2-(oxolan-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-(oxolan-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-(oxolan-2-yl)-1H-pyrimidin-6-one is O=c1cc(O)nc(C2CCCO2)[nH]1.
What is the InChIKey of 4-hydroxy-2-(oxolan-2-yl)-1H-pyrimidin-6-one?
The InChIKey is SATHYPRQHMFPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c11-6-4-7(12)10-8(9-6)5-2-1-3-13-5/h4-5H,1-3H2,(H2,9,10,11,12).
What are the key properties of 4-hydroxy-2-(oxolan-2-yl)-1H-pyrimidin-6-one?
4-hydroxy-2-(oxolan-2-yl)-1H-pyrimidin-6-one has a molecular weight of 182.18 g/mol, XLogP of 0.33, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(oxolan-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 65331574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).