4-(oxan-4-yloxy)-1H-pyrimidin-6-one

C9H12N2O3 — CID 103241471

IUPAC4-(oxan-4-yloxy)-1H-pyrimidin-6-one
SMILESO=c1cc(OC2CCOCC2)nc[nH]1
InChIInChI=1S/C9H12N2O3/c12-8-5-9(11-6-10-8)14-7-1-3-13-4-2-7/h5-7H,1-4H2,(H,10,11,12)
InChIKeyKFPADHBFEFDPMN-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.33
Rot. Bonds2

About 4-(oxan-4-yloxy)-1H-pyrimidin-6-one

4-(oxan-4-yloxy)-1H-pyrimidin-6-one (PubChem CID 103241471) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 4-(oxan-4-yloxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(oxan-4-yloxy)-1H-pyrimidin-6-one
PubChem CID103241471
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name4-(oxan-4-yloxy)-1H-pyrimidin-6-one
SMILESO=c1cc(OC2CCOCC2)nc[nH]1
InChIInChI=1S/C9H12N2O3/c12-8-5-9(11-6-10-8)14-7-1-3-13-4-2-7/h5-7H,1-4H2,(H,10,11,12)
InChIKeyKFPADHBFEFDPMN-UHFFFAOYSA-N
XLogP0.33
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(oxan-4-yloxy)-1H-pyrimidin-6-one?
The IUPAC name of 4-(oxan-4-yloxy)-1H-pyrimidin-6-one (CID 103241471) is 4-(oxan-4-yloxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(oxan-4-yloxy)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(oxan-4-yloxy)-1H-pyrimidin-6-one is O=c1cc(OC2CCOCC2)nc[nH]1.
What is the InChIKey of 4-(oxan-4-yloxy)-1H-pyrimidin-6-one?
The InChIKey is KFPADHBFEFDPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c12-8-5-9(11-6-10-8)14-7-1-3-13-4-2-7/h5-7H,1-4H2,(H,10,11,12).
What are the key properties of 4-(oxan-4-yloxy)-1H-pyrimidin-6-one?
4-(oxan-4-yloxy)-1H-pyrimidin-6-one has a molecular weight of 196.21 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-4-yloxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 103241471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).