4-(oxolan-3-yloxy)-1H-pyrimidin-6-one

C8H10N2O3 — CID 103241693

IUPAC4-(oxolan-3-yloxy)-1H-pyrimidin-6-one
SMILESO=c1cc(OC2CCOC2)nc[nH]1
InChIInChI=1S/C8H10N2O3/c11-7-3-8(10-5-9-7)13-6-1-2-12-4-6/h3,5-6H,1-2,4H2,(H,9,10,11)
InChIKeyXQIXVIZQSQVJHM-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.06
Rot. Bonds2

About 4-(oxolan-3-yloxy)-1H-pyrimidin-6-one

4-(oxolan-3-yloxy)-1H-pyrimidin-6-one (PubChem CID 103241693) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 4-(oxolan-3-yloxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(oxolan-3-yloxy)-1H-pyrimidin-6-one
PubChem CID103241693
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name4-(oxolan-3-yloxy)-1H-pyrimidin-6-one
SMILESO=c1cc(OC2CCOC2)nc[nH]1
InChIInChI=1S/C8H10N2O3/c11-7-3-8(10-5-9-7)13-6-1-2-12-4-6/h3,5-6H,1-2,4H2,(H,9,10,11)
InChIKeyXQIXVIZQSQVJHM-UHFFFAOYSA-N
XLogP-0.06
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-3-yloxy)-1H-pyrimidin-6-one?
The IUPAC name of 4-(oxolan-3-yloxy)-1H-pyrimidin-6-one (CID 103241693) is 4-(oxolan-3-yloxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(oxolan-3-yloxy)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(oxolan-3-yloxy)-1H-pyrimidin-6-one is O=c1cc(OC2CCOC2)nc[nH]1.
What is the InChIKey of 4-(oxolan-3-yloxy)-1H-pyrimidin-6-one?
The InChIKey is XQIXVIZQSQVJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c11-7-3-8(10-5-9-7)13-6-1-2-12-4-6/h3,5-6H,1-2,4H2,(H,9,10,11).
What are the key properties of 4-(oxolan-3-yloxy)-1H-pyrimidin-6-one?
4-(oxolan-3-yloxy)-1H-pyrimidin-6-one has a molecular weight of 182.18 g/mol, XLogP of -0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-3-yloxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 103241693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).