4-hydroxy-2-(oxolan-3-yl)-1H-pyrimidin-6-one

C8H10N2O3 — CID 63612931

IUPAC4-hydroxy-2-(oxolan-3-yl)-1H-pyrimidin-6-one
SMILESO=c1cc(O)nc(C2CCOC2)[nH]1
InChIInChI=1S/C8H10N2O3/c11-6-3-7(12)10-8(9-6)5-1-2-13-4-5/h3,5H,1-2,4H2,(H2,9,10,11,12)
InChIKeyXBCGPXKCHIGJFU-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.02
Rot. Bonds1

About 4-hydroxy-2-(oxolan-3-yl)-1H-pyrimidin-6-one

4-hydroxy-2-(oxolan-3-yl)-1H-pyrimidin-6-one (PubChem CID 63612931) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 4-hydroxy-2-(oxolan-3-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-(oxolan-3-yl)-1H-pyrimidin-6-one
PubChem CID63612931
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name4-hydroxy-2-(oxolan-3-yl)-1H-pyrimidin-6-one
SMILESO=c1cc(O)nc(C2CCOC2)[nH]1
InChIInChI=1S/C8H10N2O3/c11-6-3-7(12)10-8(9-6)5-1-2-13-4-5/h3,5H,1-2,4H2,(H2,9,10,11,12)
InChIKeyXBCGPXKCHIGJFU-UHFFFAOYSA-N
XLogP-0.02
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 ≤ 5-0.02
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-3-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-(oxolan-3-yl)-1H-pyrimidin-6-one (CID 63612931) is 4-hydroxy-2-(oxolan-3-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-(oxolan-3-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-(oxolan-3-yl)-1H-pyrimidin-6-one is O=c1cc(O)nc(C2CCOC2)[nH]1.
What is the InChIKey of 4-hydroxy-2-(oxolan-3-yl)-1H-pyrimidin-6-one?
The InChIKey is XBCGPXKCHIGJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c11-6-3-7(12)10-8(9-6)5-1-2-13-4-5/h3,5H,1-2,4H2,(H2,9,10,11,12).
What are the key properties of 4-hydroxy-2-(oxolan-3-yl)-1H-pyrimidin-6-one?
4-hydroxy-2-(oxolan-3-yl)-1H-pyrimidin-6-one has a molecular weight of 182.18 g/mol, XLogP of -0.02, 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-3-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 63612931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).